Olopatadine Impurity 34

CAT: 1299-RM-O162034-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O162034-01Size:10 mg

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CAS Number

614-75-5

Synonyms

2- (2-hydroxyphenyl) acetic acid

Molecular Formula

C8H8O3

Molecular Weight

152.15

Target Alternative Name

Olopatadine

Product Name Synonym

2- (2-hydroxyphenyl) acetic acid

Chemical Information

(2-Hydroxyphenyl)acetic acid

(2-hydroxyphenyl)acetic acid is a hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2-hydroxyphenyl group. It is a metabolite of phenylalanine and is excreted in the urine of patients suffering from diseases like phenylketonuria. It has a role as a mouse metabolite and a human metabolite. It is a member of phenols and a hydroxy monocarboxylic acid. It is functionally related to an acetic acid and a phenol. It is a conjugate acid of a (2-hydroxyphenyl)acetate.

CAS Number	614-75-5
PubChem CID	11970
IUPAC Name	2-(2-hydroxyphenyl)acetic acid
Molecular Formula	C8H8O3
Molecular Weight	152.15
XLogP	0.9
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	144

SMILES

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

InChI

InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)

InChIKey

CCVYRRGZDBSHFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 614-75-5

CID: 11970

Formula: C8H8O3

MW: 152.15

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	152.15
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	152.047344113
Monoisotopic Mass	152.047344113
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	144
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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Olopatadine Impurity 34

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