Hydroxycinnamates

Compound Structure:

Synonyms:

2-[(E)-2-carboxyethenyl]phenolate; trans-2-coumarate; 3-(2-hydroxyphenyl)acrylate; coumarinate; 3-(2-hydroxyphenyl)prop-2-enoate; (2E)-3-(2-hydroxyphenyl)acrylate; (2E)-3-(2-hydroxyphenyl)prop-2-enoate

Compound ID:

NMPC-1137

PubChem ID:

54693535

Molecular Formula:

C9H7O3-

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)O)[O-]

InChIKey:

PMOWTIHVNWZYFI-AATRIKPKSA-M

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	163.15 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	163.039519081 g/mol
Monoisotopic Mass	163.039519081 g/mol
Topological Polar Surface Area	60.4Å²
Heavy Atom Count	12
Formal Charge	-1
Complexity	186
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:

Talinum triangulare

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