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Methyl 4-Hydroxy Cinnamate

CAT: 0572-TRC-M312595-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M312595-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19367-38-5
Synonyms
2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester, (2E)-; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester, (E)-; Cinnamic acid, p-hydroxy-, methyl ester, (E)- (8CI); (E)-3-(4-Hydroxyphenyl)acrylic acid methyl ester; (E)-4-Hydroxycinnamic acid methyl ester; (E)-Methyl 3-(4-hydroxyphenyl)acrylate; (E)-Methyl p-hydroxycinnamate; Methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate; Methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate; Methyl (E)-3-(4-hydroxyphenyl)-2-propenoate; Methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate; Methyl (E)-4-hydroxycinnamate; Methyl (E)-p-coumarate; Methyl (E)-p-hydroxy-cinnamate; Methyl (E)-p-hydroxycinnamate; Methyl p-hydroxy-(E)cinnamate; Methyl p-hydroxy-trans-cinnamate; Methyl trans-4-hydroxycinnamate; Methyl trans-p-coumarate; trans-Methyl p-hydroxycinnamate; trans-p-Coumaric acid methyl ester; trans-p-Hydroxycinnamic acid methyl ester
Hazard Statement
May be harmful if swallowed.
Purity
>95% (HPLC)
Smiles
COC(=O)\C=C\c1ccc(O)cc1
Molecular Formula
C10 H10 O3
Molecular Weight
178.18
InChI
InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+
Additionnal Information
IUPAC name: methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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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