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3- (3-Hydroxy-4-methoxyphenyl) propionic acid

CAT: 0926-FH65792-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FH65792-01Size:100 mg
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CAS Number
1135-15-5
Synonyms
3- (3-Hydroxy-4-methoxyphenyl) propionic acid; b- (3-Hydroxy-4-methoxyphenyl) propionic acid; Dihydroisoferulic acid;3-Hydroxy-4-methoxy-b enzenepropanoic acid
MDL Number
MFCD01444519
Smiles
COC1=C (C=C (C=C1) CCC (=O) O) O
Molecular Formula
C10H12O4
Molecular Weight
196.2 g/mol
Controlled
No

Chemical Information

3-Hydroxy-4-methoxybenzenepropanoic acid

Dihydroisoferulic acid is a member of benzenes and a monocarboxylic acid.

CAS Number1135-15-5
PubChem CID2752054
IUPAC Name3-(3-hydroxy-4-methoxyphenyl)propanoic acid
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP0.7
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity193
SMILES
COC1=C(C=C(C=C1)CCC(=O)O)O
InChI
InChI=1S/C10H12O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
InChIKey
ZVIJTQFTLXXGJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-4-methoxybenzenepropanoic acid
CAS: 1135-15-5
CID: 2752054
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass196.07355886
Monoisotopic Mass196.07355886
Topological Polar Surface Area66.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-2163503- (3-Hydroxy-4-methoxyphenyl) propionic Acid
MBS6034490-013-(3-Hydroxy-4-methoxyphenyl)propionic Acid
sc-2258703- (4-Hydroxy-3-methoxyphenyl) propionic acid
279330-013- (3-Hydroxy-4-methoxyphenyl) propionic acid (dihydroisoferulic acid)
H9463653-(3-Hydroxy-4-methoxyphenyl)propionic Acid (Dihydroisoferulic Acid)
TRC-H946367-5MG3-(3-Hydroxy-4-methoxyphenyl)propionic-d3 Acid (Dihydroisoferulic Acid)
sc-4957073- (3-Hydroxy-4-methoxyphenyl) propionic-d3 Acid (Dihydroisoferulic Acid)
283380-013- (4-Methoxyphenyl) propionic acid
abx188298-013-(4-Methoxyphenyl)Propionic Acid
PC12233,3-Difluoro-2-hydroxy-3- (4-methoxyphenyl) propionic acid

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