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cis-p-Coumaric acid

cis-p-Coumaric acid structure

CAS No:
4501-31-9
Formula:
C9H8O3
Chemical Name:
cis-p-Coumaric acid
Synonyms:
2-Propenoic acid,3-(4-hydroxyphenyl)-,(2Z)-;Cinnamic acid,p-hydroxy-,(Z)-;2-Propenoic acid,3-(4-hydroxyphenyl)-,(Z)-;(2Z)-3-(4-Hydroxyphenyl)-2-propenoic acid;cis-p-Coumaric acid;cis-p-Hydroxycinnamic acid;cis-4-Hydroxycinnamic acid;(Z)-p-Coumaric acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

ChEBI: The cis-form of 4-coumaric acid.

Solid

Cis-4-coumaric acid is the cis-form of 4-coumaric acid. It is a conjugate acid of a cis-4-coumarate.

cis-p-Coumaric acid Basic Attributes

Molecular Weight：

164.16

Exact Mass：

164.16

EC Number：

224-813-7

NSC Number：

90284

Characteristics

PSA：

57.53000

XLogP3：

1.88

Appearance：

Solid

Density：

1.3±0.1 g/cm3

Melting Point：

130-131 °C

Boiling Point：

346.1±17.0 °C at 760 mmHg

Flash Point：

177.3±17.4 °C

Refractive Index：

1.660

cis-p-Coumaric acid Use and Manufacturing

An antioxidative active compound isolated from the EtOAc layer of MeOH extracts of kochujang, Korean fermented red pepper paste. Photoisomerization of ionic liquid ammonium cinnamates. Cinnamic acids upon irradiation in solution undergo geometric isomerization while dimerizing to different dimers in the crystalline state.

Computed Properties

Molecular Weight:164.16
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:164.047344113
Monoisotopic Mass:164.047344113
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:178
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes