2-methyl glutaconic acid diethyl ester

2-methyl glutaconic acid diethyl ester
Compound Structure:
Synonyms: 2-Methylglutaconic acid, diethyl ester;Diethyl (2E)-2-methyl-2-pentenedioate
Compound ID: NMPC-257
PubChem ID:

5373388
Molecular Formula: C10H16O4
Canonical SMILES: CCOC(=O)CC=C(C)C(=O)OCC
InChIKey: PRUINWDMDYERSK-SOFGYWHQSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

200.23 g/mol

XLogP3-AA

1.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

7

Exact Mass

200.10485899 g/mol

Monoisotopic Mass

200.10485899 g/mol

Topological Polar Surface Area

52.6Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

230

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Grewia mollis
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