AG01AICE

Name: 3-Cyano-4-(pyrrolidin-1-yl)benzoic acid
Brand: Angene Chemical
SKU: AG01AICE

1311318-16-7 | 3-Cyano-4-(pyrrolidin-1-yl)benzoic acid

AG01AICE

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CAS Number	1311318-16-7
Catalog Number	AG01AICE
Chemical Name	3-Cyano-4-(pyrrolidin-1-yl)benzoic acid
IUPAC Name	3-cyano-4-pyrrolidin-1-ylbenzoic acid
InChI	InChI=1S/C12H12N2O2/c13-8-10-7-9(12(15)16)3-4-11(10)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H,15,16)
InChI Key	CZKUWDUKUYKZFL-UHFFFAOYSA-N
MDL Number	MFCD18917273
Molecular Formula	C12H12N2O2
Molecular Weight	216.2359
SMILES	C(#N)C=1C=C(C(=O)O)C=CC1N1CCCC1
Synonyms	3-cyano-4-(pyrrolidin-1-yl)benzoic acid, 1311318-16-7, EN300-77391, ZINC68591688, AKOS033199773, MCULE-3545906242, NE47020, Z1259339940,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.24g/mol
Monoisotopic Mass	216.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	64.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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