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(E) -Methyl 3- (4-Hydroxyphenyl) Acrylate

CAT: 1299-RG-M051805-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-M051805-01Size:10 mg
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CAS Number
19367-38-5
Synonyms
(E) -methyl 3- (4-hydroxyphenyl) acrylate
Molecular Formula
C10H10O3
Molecular Weight
178.18
Product Name Synonym
(E) -methyl 3- (4-hydroxyphenyl) acrylate

Chemical Information

Methyl-P-Coumarate

4-coumaric acid methyl ester is a cinnamate ester that is the methyl ester of 4-coumaric acid. It has a role as an antifungal agent, a melanin synthesis inhibitor, an anti-inflammatory agent, a plant metabolite and a fungal metabolite. It is a methyl ester, a member of phenols and a cinnamate ester. It is functionally related to a 4-coumaric acid.

CAS Number19367-38-5
PubChem CID5319562
IUPAC Namemethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular FormulaC10H10O3
Molecular Weight178.18
XLogP2.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity190
SMILES
COC(=O)/C=C/C1=CC=C(C=C1)O
InChI
InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+
InChIKey
NITWSHWHQAQBAW-QPJJXVBHSA-N
Chemical Structure
2D Structure
2D structure of Methyl-P-Coumarate
CAS: 19367-38-5
CID: 5319562
Formula: C10H10O3
MW: 178.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.18
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass178.062994177
Monoisotopic Mass178.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-301043Methyl 3- (4-hydroxyphenyl) acrylate
OR110737Methyl 3- (3-chloro-4-hydroxyphenyl) acrylate
OR92282-01Methyl (E) -3- (3-formyl-4-hydroxyphenyl) acrylate
455072-01Methyl 3- (4-cyanophenyl) acrylate
sc-311400AMethyl 3- (4-bromophenyl) acrylate
OR955608Methyl-3- (4-pyridyl) acrylate
FM168867-01Methyl 3- (4-isopropylphenyl) acrylate
OR942301-01Methyl 3- (4-formylphenyl) acrylate
OR1040345-01Methyl 2- (hydroxy (4-methoxyphenyl) methyl) acrylate
OR1082292Methyl 2- ((4-chlorophenyl) (hydroxy) methyl) acrylate

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