Dihydrocaffeic Acid

CAT: 1299-RG-A261398-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261398-02Size:25 mg

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CAS Number

1078-61-1

Synonyms

3- (3,4-dihydroxyphenyl) propanoic acid

Molecular Formula

C9H10O4

Molecular Weight

182.18

Product Name Synonym

3- (3,4-dihydroxyphenyl) propanoic acid

Chemical Information

Dihydrocaffeic Acid

3-(3,4-dihydroxyphenyl)propanoic acid is a monocarboxylic acid that is 3-phenylpropionic acid substituted by hydroxy groups at positions 3 and 4. Also known as dihydrocaffeic acid, it is a metabolite of caffeic acid and exhibits antioxidant activity. It has a role as an antioxidant and a human xenobiotic metabolite. It is functionally related to a 3-phenylpropionic acid. It is a conjugate acid of a 3-(3,4-dihydroxyphenyl)propanoate.

CAS Number	1078-61-1
PubChem CID	348154
IUPAC Name	3-(3,4-dihydroxyphenyl)propanoic acid
Molecular Formula	C9H10O4
Molecular Weight	182.17
XLogP	-0.5
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	180

SMILES

C1=CC(=C(C=C1CCC(=O)O)O)O

InChI

InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)

InChIKey

DZAUWHJDUNRCTF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1078-61-1

CID: 348154

Formula: C9H10O4

MW: 182.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	182.17
XLogP3	-0.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	182.05790880
Monoisotopic Mass	182.05790880
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	180
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
T0539-01	Dihydrocaffeic acid
HY-N2406R-01	Dihydrocaffeic acid (Standard)
A22344-500	Dihydrocaffeic acid 500mg
A22344-50	Dihydrocaffeic acid 50mg
A22344-100	Dihydrocaffeic acid 100mg
A22344-25	Dihydrocaffeic acid 25mg
A22344-10	Dihydrocaffeic acid 10mg
D26930-01	Dihydrocaffeic acid 97%
A22344-10mM-D	Dihydrocaffeic acid 10mM * 1mL in DMSO
OR1071368-01	Acid-apeg6-acid

Dihydrocaffeic Acid

Chemical Information

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