CAS: 1830-54-2
이름: dimethyl 3-oxopentanedioate
SMILES:
COC(=O)CC(=O)CC(=O)OCMolecular Processing
Molecular formula
C7H10O5
Molecular weight
174.15
Exact mass
174.0528
XLogP
-0.32
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
12
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
0.571
Molar refractivity
38.27
Supplementary Information
InChIKey: RNJOKCPFLQMDEC-UHFFFAOYSA-N
동의어
1830-54-2Dimethyl 3-oxopentanedioateDimethyl 3-oxoglutaratePentanedioic acid, 3-oxo-, dimethyl ester1,5-dimethyl 3-oxopentanedioateDimethyl acetonedicarboxylatePentanedioic acid, 3-oxo-, 1,5-dimethyl esterDimethyl-3-oxoglutarateGlutaric acid, 3-oxo-, dimethyl esterAcetone dicarboxylic acid, dimethyl esterDimethyl beta-oxoglutarateNSC 4677PVX284APC6NSC-4677EINECS 217-385-8AI3-05633DTXSID5062007EC 217-385-83-OXO-PENTANEDIOIC ACIDO,DIMETHYL ESTERDimethyl betaoxoglutarateRefChem:588183Dimethyl 3oxopentanedioateDimethyl 1,3acetonedicarboxylateDTXCID5035826Glutaric acid, 3oxo, dimethyl esterPentanedioic acid, 3oxo, dimethyl esterPentanedioic acid, 3oxo, 1,5dimethyl ester217-385-8InChI=1/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2HDimethyl 1,3-acetonedicarboxylate
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