AG00019D

Name: 3-Pentylbenzeneacetic acid
Brand: Angene Chemical
SKU: AG00019D

1002101-19-0 | 3-Pentylbenzeneacetic acid

AG00019D

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COA

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WARNING This product is not for human or veterinary use.

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CAS Number	1002101-19-0
Catalog Number	AG00019D(AGN-PC-0WAKR4)
Chemical Name	3-Pentylbenzeneacetic acid
IUPAC Name	2-(3-pentylphenyl)acetic acid
InChI	InChI=1S/C13H18O2/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15/h5,7-9H,2-4,6,10H2,1H3,(H,14,15)
InChI Key	PEGQOIGYZLJMIB-UHFFFAOYSA-N
MDL Number	MFCD24480577
Molecular Formula	C13H18O2
Molecular Weight	206.2808
SMILES	C(CCCC)C=1C=C(C=CC1)CC(=O)O
UNII	879OVM0Y1S
Synonyms	2-(3-Pentylphenyl)acetic acid, 3-Pentylbenzeneacetic acid, UNII-879OVM0Y1S, 879OVM0Y1S, PBI-4050, 1002101-19-0, setogepram (proposed INN), SCHEMBL289216, Benzeneacetic acid, 3-pentyl-, GTPL10043, PBI4050, ZINC113492390, 3-pentylbenzeneaceticacid,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.131g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.285g/mol
Monoisotopic Mass	206.131g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited