CAS: 542-05-2
名称: 3-oxopentanedioic acid
SMILES:
C(C(=O)CC(=O)O)C(=O)OMolecular Processing
Molecular formula
C5H6O5
Molecular weight
146.1
Exact mass
146.0215
XLogP
-0.5
TPSA
91.67
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
29.51
Supplementary Information
InChIKey: OXTNCQMOKLOUAM-UHFFFAOYSA-N
同義語
3-oxopentanedioic acid3-Oxoglutaric acidAcetonedicarboxylic acidPentanedioic acid, 3-oxo-beta-KETOGLUTARIC ACIDUNII-IH7P7WO21PIH7P7WO21PEINECS 208-797-9.BETA.-KETOGLUTARIC ACIDDTXSID2060252EC 208-797-9ACETONEDICARBOXYLIC ACID [MI]3Oxoglutaric acid3Ketoglutaric acidbetaKetoglutaric acid3oxopentanedioic acidPentanedioic acid, 3oxoRefChem:1090041,3Acetonedicarboxylic acidDTXCID2041626542-05-21,3-Acetonedicarboxylic acidacetone-1,3-dicarboxylic acidMFCD000027113-Oxopentane-1,5-dioic acid3-oxoglutarate3-Ketoglutaric Acidb-ketoglutaric acidacetondicarbonsaure6JN
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