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제품 설명
123-76-2 | Pentanoic acid, 4-oxo-
제품 번호
AG000JXX
제품 설명
| CAS Number | 123-76-2 |
| Catalog Number | AG000JXX(AGN-PC-0099XT) |
| Chemical Name | Pentanoic acid, 4-oxo- |
| EC Number | 204-649-2 |
| FEMA Number | 2627 |
| IUPAC Name | 4-oxopentanoic acid |
| InChI | InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) |
| InChI Key | JOOXCMJARBKPKM-UHFFFAOYSA-N |
| MDL Number | MFCD00002796 |
| Molecular Formula | C5H8O3 |
| Molecular Weight | 116.1152 |
| NSC Number | 3716 |
| SMILES | C(C(C)=O)CC(O)=O |
| UNII | RYX5QG61EI |
| Synonyms | calcium levulate, calcium levulinate, Diasporal, levulinic acid, levulinic acid, ammonium salt, levulinic acid, calcium salt, levulinic acid, sodium salt, Magnesium Diasporal, magnesium laevulinate, magnesium levulinate, LEVULINIC ACID, 4-Oxopentanoic acid, 123-76-2, Laevulinic acid, Pentanoic acid, 4-oxo-, 4-Oxovaleric acid, Levulic acid, 3-Acetylpropionic acid, 4-Ketovaleric acid, LEVA, gamma-Ketovaleric acid, Acetopropionic acid, Levulinsaeure, Laevulic acid, 4-oxo-pentanoic acid, Valeric acid, 4-oxo-, beta-Acetylpropionic acid, USAF CZ-1, Propionic acid, 3-acetyl-, 4-Oxopentansaeure, Acidum laevulinicum, 3-Acetylpropionsaeure, 3-Ketobutane-1-carboxylic acid, UNII-RYX5QG61EI, NSC 3716, Acetylpropionic acid, FEMA No. 2627, Pentanoic acid, 4-oxo, .gamma.-Ketovaleric acid, EINECS 204-649-2, MFCD00002796, RYX5QG61EI, .beta.-Acetylpropionic acid, BRN 0506796, AI3-03377, CHEBI:45630, NSC3716, JOOXCMJARBKPKM-UHFFFAOYSA-N, laevulinate, levulate, 4-ketovalerate, Valeric acid, 4-oxo-(levulinic acid), gamma-ketovalerate, 3-acetylpropionate, Levulinic acid, 98+%, beta-acetylpropionate, DSSTox_CID_1648, DSSTox_RID_76262, DSSTox_GSID_21648, CAS-123-76-2, Laevulinsaeure, levulenic acid, g-Ketovalerate, b-Acetylpropionate, g-Ketovaleric acid, 4-ketopentanoic acid, beta-Ketovaleric acid, 3-Acetopropionic acid, b-Acetylpropionic acid, Substrate analogue, 8, Levulinic acid, 98%, PubChem11206, AC1L1XNO, ACMC-1BV76, WLN: QV2V1, SCHEMBL20868, 4-03-00-01560 (Beilstein Handbook Reference), KSC175E8L, AC1Q1K52, AC1Q1K53, Levulinic acid, >=97%, FG, CHEMBL1235931, DTXSID8021648, BDBM82191, CTK0H5285, ZINC586584, Levulinic acid, analytical standard, HY-Y0839, NSC-3716, Levulinic acid, natural, 99%, FG, Tox21_201483, Tox21_302729, ANW-18159, BBL027404, LMFA01060006, SBB040561, STK802043, AKOS000119608, DB02239, LS-2879, LS41171, MCULE-1392778065, RP19219, RTR-003715, TRA0101332, 4-Oxopentanoic acid; 4-Oxovaleric acid, NCGC00249052-01, NCGC00256314-01, NCGC00259034-01, AJ-23619, AK-73018, AN-43497, BC216409, BR-73018, SC-11354, AB1002583, DB-003710, PENTANOIC ACID,4-OXO MFC5 H8 O3, ST2411589, TR-003715, AM20080171, CS-0015813, FT-0627815, L0042, AZ0001-0126, M-6046, SR-01000944838, J-004982, J-521643, S14-1440, SR-01000944838-1, F2191-0253, Z1270312195, InChI=1/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8, levulinate, Antithermin, 4-oxopentanoate, Acide lvulinique, 4-oxovalerate, 4- oxovaleric acid, |A-ketovaleric acid, 4 - oxovaleric acid, |A-Acetylpropionic acid, D0A1PW, D0J4OK, C5H8O3, FA(5:0(Ke)), Pentanoic acid, 4-oxo- (9CI), C5-H8-O3, CID11579, Levulinic acid, 98% - 1KG 1kg, ACN-050004, SHF, |
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.116g/mol |
| Monoisotopic Mass | 116.047g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
| Symbol: |  |
| Hazard statements | H302-H315-H319-H335 |
| Precuationary statements | P261-P305+P351+P338 |
| Siginal words |
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