3-Phenylglutaric Acid

CAT: 0572-TRC-P327505-1GSize: 1 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-P327505-1GSize:1 g

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CAS Number

4165-96-2

Synonyms

beta-Phenylglutaric Acid; 3-Phenylpentanedioic Acid;

Hazard Statement

No Data Available

Purity

>95% (HPLC)

Smiles

OC(=O)CC(CC(=O)O)c1ccccc1

Molecular Formula

C11H12O4

Molecular Weight

208.21

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

3-Phenylglutaric acid

CAS Number	4165-96-2
PubChem CID	77823
IUPAC Name	3-phenylpentanedioic acid
Molecular Formula	C11H12O4
Molecular Weight	208.21
XLogP	1.1
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	215

SMILES

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

InChI

InChI=1S/C11H12O4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)

InChIKey

RZOKZOYSUCSPDF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4165-96-2

CID: 77823

Formula: C11H12O4

MW: 208.21

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	208.21
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	208.07355886
Monoisotopic Mass	208.07355886
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	215
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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TRC-P327508-250MG	2-Phenylglutaric Anhydride(>80%)
TRC-P327508-100MG	2-Phenylglutaric Anhydride(>80%)
TRC-P327508-500MG	2-Phenylglutaric Anhydride(>80%)
TRC-D473915-10G	3,3-Dimethylglutaric Acid
TRC-D445368-50MG	3,3-Difluorocyclopentanecarboxylic Acid
TRC-D473520-25G	3,3-Dimethylbutyric Acid
TRC-D473520-100G	3,3-Dimethylbutyric Acid
TRC-D473915-5G	3,3-Dimethylglutaric Acid
TRC-D491725-100G	3,3-Diphenylpropionic Acid
TRC-D473520-5G	3,3-Dimethylbutyric Acid

Alternative Products

Catalog	Name
287632-01	3-Phenylglutaric acid
34825450-1g	3,3',5-Triiodothyroacetic acid, free acid
DAA17774-01	3,3-Dimethylpentanoic acid
CAA36661-01	3,3-Difluorobutanoic acid
TN9211-01	3,3-Dimethylbutyric acid
HY-W008097-01	3,3-Dimethylglutaric acid
426860	3,3'-Thiodipropanoic Acid
426758-01	3,3-Difluorocyclobutanecarboxylic acid
273273-01	3,3-Diphenylpropionic Acid
273265-01	3,3'-Dithiodipropionic acid

3-Phenylglutaric Acid

Chemical Information

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