CAS: 108-59-8
名称: dimethyl propanedioate
SMILES:
COC(=O)CC(=O)OCMolecular Processing
Molecular formula
C5H8O4
Molecular weight
132.12
Exact mass
132.0423
XLogP
-0.28
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
28.65
Supplementary Information
InChIKey: BEPAFCGSDWSTEL-UHFFFAOYSA-N
同義語
Dimethyl malonate108-59-8Dimethyl propanedioateMethyl malonateMALONIC ACID, DIMETHYL ESTERDTXSID4029145EM8Y79998CDTXCID309145RefChem:134253203-597-8Malonic Acid Dimethyl EsterPropanedioic acid, dimethyl ester1,3-dimethyl propanedioateMFCD00008460Malonic acid-dimethyl esterDimethyl 1,3-propanedioateCAS-108-59-8CCRIS 8981propanedioic acid dimethyl esterEINECS 203-597-8UNII-EM8Y79998CDimethyl malonate, 98%malonic acid dimethylester2,2-dimethylpropanedioateCH2(COOMe)2EC 203-597-8SCHEMBL53913METHYL MALONATE [MI]SCHEMBL167723Dimethyl ester of malonic acid
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