Hydrocinnamic acid

CAT: 0931-T3731-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0931-T3731-01Size:5 g

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CAS Number

501-52-0

Target

Endogenous Metabolite

Related Pathways

Metabolism

Purity

0.99973

Bioactivity

Hydrocinnamic acid is an inter-root compound with growth-regulating activity.

Smiles

OC(=O)CCC1=CC=CC=C1

Molecular Formula

C9H10O2

Molecular Weight

150.17

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Benzenepropanoic acid

3-phenylpropionic acid is a monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. It has a role as an antifungal agent, a plant metabolite and a human metabolite. It is a member of benzenes and a monocarboxylic acid. It is functionally related to a propionic acid. It is a conjugate acid of a 3-phenylpropionate.

CAS Number	501-52-0
PubChem CID	107
IUPAC Name	3-phenylpropanoic acid
Molecular Formula	C9H10O2
Molecular Weight	150.17
XLogP	1.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	126

SMILES

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

InChI

InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

InChIKey

XMIIGOLPHOKFCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 501-52-0

CID: 107

Formula: C9H10O2

MW: 150.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	150.17
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	150.068079557
Monoisotopic Mass	150.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	126
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
TRC-H714595-10G	Hydrocinnamic Acid
HY-Y1088S3-01	Hydrocinnamic acid-d5
sc-491308A	Hydrocinnamic Acid-13C3
HY-Y1088S2-01	Hydrocinnamic acid-d9
H714596	Hydrocinnamic-α,α-d2 Acid
H08535-01	Hydrocinnamic acid 99%
HY-Y1088S1	Hydrocinnamic acid-d2
HY-Y1088R-01	Hydrocinnamic acid (Standard)
TRC-H714601-50MG	Hydrocinnamic-d9 Acid

Hydrocinnamic acid

Chemical Information

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