AG00IE71

Name: 3-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
Brand: Angene Chemical
SKU: AG00IE71

867329-99-5 | 3-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid

AG00IE71

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CAS Number	867329-99-5
Catalog Number	AG00IE71(AGN-PC-0WBZW5)
Chemical Name	3-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
IUPAC Name	3-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
InChI	InChI=1S/C12H13NO3/c14-11-5-2-6-13(11)8-9-3-1-4-10(7-9)12(15)16/h1,3-4,7H,2,5-6,8H2,(H,15,16)
InChI Key	FBSKZMIDVIXNCN-UHFFFAOYSA-N
MDL Number	MFCD10697407
Molecular Formula	C12H13NO3
Molecular Weight	219.2365
SMILES	OC(C1=CC(CN2C(=O)CCC2)=CC=C1)=O
Synonyms	867329-99-5, 3-[(2-oxopyrrolidin-1-yl)methyl]benzoic Acid, 3-(2-Oxo-pyrrolidin-1-ylmethyl)-benzoic acid, 3-((2-Oxopyrrolidin-1-yl)methyl)benzoic acid, AC1OFJW9, AC1Q730B, SCHEMBL1200393, CTK7H4129, DTXSID70427861, ZINC4218288, 1050AF, SBB085366, AKOS000201207, MCULE-4697854681, NE27388, 3-[(2-oxopyrrolidinyl)methyl]benzoic acid, TR-055994, FT-0678732, 3-(2-Oxo-pyrrolidin-1-ylmethyl)benzoic acid, EN300-14406, 3-[(2-Oxo-1-pyrrolidinyl)methyl]benzoic acid, I01-15966, 3-[(2-Oxo-1-pyrrolidinyl)methyl]benzoic acid, AldrichCPR, C12H13NO3, CID7130763,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.24g/mol
Monoisotopic Mass	219.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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