Dihydroferulic acid

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CAS Number

1135-23-5

Synonyms

Dihydroconiferylic acid, Hydroferulic acid

Purity

=98%

Smiles

COc1cc(CCC(O)=O)ccc1O

Chemical Information

Dihydroferulic Acid

Dihydroferulic acid is a monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 3 has been replaced by a 4-hydroxy-3-methoxyphenyl group. It has a role as an antioxidant, a mouse metabolite, a plant metabolite and a human xenobiotic metabolite. It is a member of guaiacols, a monocarboxylic acid and a phenylpropanoid. It is functionally related to a propionic acid. It is a conjugate acid of a dihydroferulate.

CAS Number	1135-23-5
PubChem CID	14340
IUPAC Name	3-(4-hydroxy-3-methoxyphenyl)propanoic acid
Molecular Formula	C10H12O4
Molecular Weight	196.20
XLogP	0.7
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	193

SMILES

COC1=C(C=CC(=C1)CCC(=O)O)O

InChI

InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)

InChIKey

BOLQJTPHPSDZHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1135-23-5

CID: 14340

Formula: C10H12O4

MW: 196.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	196.07355886
Monoisotopic Mass	196.07355886
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	193
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
FD21920-01	Dihydroferulic acid
HY-N7080R-01	Dihydroferulic acid (Standard)
TN8716-01	Dihydroferulic acid methyl ester
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
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Dihydroferulic acid

Chemical Information

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