Oxalic acid; ally nonyl ester

Oxalic acid; ally nonyl ester
Compound Structure:
Synonyms: 1-O-nonyl 2-O-prop-2-enyl oxalate; Oxalic acid, allyl nonyl ester nonyl prop-2-en-1-yl ethanedioate
Compound ID: NMPC-1366
PubChem ID:

6420231
Molecular Formula: C14H24O4
Canonical SMILES: CCCCCCCCCOC(=O)C(=O)OCC=C
InChIKey: OBTRGHJXSNHSHW-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

341.5 g/mol

XLogP3-AA

7.9

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

18

Exact Mass

341.29299411 g/mol

Monoisotopic Mass

341.29299411 g/mol

Topological Polar Surface Area

55.4Ų

Heavy Atom Count

24

Formal Charge

0

Complexity

305

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Hippocratea indica
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