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(Z) -3,4-Dimethoxy Cinnamic Acid

CAT: 1596-AR-C02900-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAS Number
14737-88-3
Synonyms
(Z) -3- (3,4-dimethoxyphenyl) acrylic acid; 3- (3,4-dimethoxyphenyl) acrylic acid;2-Propenoic acid, 3- (3,4-dimethoxyphenyl) -; (E) -3- (3,4-dimethoxyphenyl) acrylic acid;3- (3,4-dimethoxyphenyl) prop-2-enoic acid;3- (3,4-Dimethoxyphenyl) -2-propenoic Acid; o-Methylferulic acid
Molecular Formula
C11H12O4
Molecular Weight
208.21
API Name
Cinnamic Acid

Chemical Information

3-(3,4-Dimethoxyphenyl)propenoic acid

structure given in first source; RN given refers to parent cpd

CAS Number14737-88-3
PubChem CID1585026
IUPAC Name(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
Molecular FormulaC11H12O4
Molecular Weight208.21
XLogP1.8
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity237
SMILES
COC1=C(C=C(C=C1)/C=C\C(=O)O)OC
InChI
InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4-
InChIKey
HJBWJAPEBGSQPR-XQRVVYSFSA-N
Chemical Structure
2D Structure
2D structure of 3-(3,4-Dimethoxyphenyl)propenoic acid
CAS: 14737-88-3
CID: 1585026
Formula: C11H12O4
MW: 208.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.21
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass208.07355886
Monoisotopic Mass208.07355886
Topological Polar Surface Area55.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity237
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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