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Methyl 2,5-Dihydroxycinnamate

CAT: 0572-TRC-M302700-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M302700-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123064-80-2
Synonyms
2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, methyl ester, (2E)-; 2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, methyl ester, (E)-; Methyl grevillate; (E)-2,5-Dihydroxycinnamic acid methyl ester; Methyl (E)-2,5-dihydroxycinnamate; Methyl trans-2,5-dihydroxycinnamate; (E)-3-(2,5-Dihydroxyphenyl)-2-propenoic acid methyl ester; Methyl trans-3-(2,5-dihydroxyphenyl)acrylate; Methyl (2E)-3-(2,5-dihydroxyphenyl)-2-propenoate; 3-(2,5-Dihydroxyphenyl)-2-propenoic Acid Methyl Ester; Methyl 2,5-Dihydroxycinnamate
Hazard Statement
Causes skin irritation
Smiles
COC(=O)\C=C\c1cc(O)ccc1O
Molecular Formula
C10 H10 O4
Molecular Weight
194.184
InChI
InChI=1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+
Additionnal Information
IUPAC name: methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Methyl 2,5-dihydroxycinnamate

2,5-dihydroxycinnamic acid methyl ester is a cinnamate ester that is the methyl ester of 2,5-dihydroxycinnamic acid. It has a role as a geroprotector, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, a plant metabolite and a human urinary metabolite. It is a member of hydroquinones, a methyl ester and a cinnamate ester.

CAS Number123064-80-2
PubChem CID5353609
IUPAC Namemethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC10H10O4
Molecular Weight194.18
XLogP1.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity224
SMILES
COC(=O)/C=C/C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+
InChIKey
BQCNSTFWSKOWMA-GORDUTHDSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2,5-dihydroxycinnamate
CAS: 123064-80-2
CID: 5353609
Formula: C10H10O4
MW: 194.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass194.05790880
Monoisotopic Mass194.05790880
Topological Polar Surface Area66.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity224
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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