AG00ISIX

Name: 4-(4-Methylbenzoyl)-1H-pyrrole-2-carboxylic acid
Brand: Angene Chemical
SKU: AG00ISIX

886361-19-9 | 4-(4-Methylbenzoyl)-1H-pyrrole-2-carboxylic acid

AG00ISIX

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CAS Number	886361-19-9
Catalog Number	AG00ISIX(AGN-PC-0WAX47)
Chemical Name	4-(4-Methylbenzoyl)-1H-pyrrole-2-carboxylic acid
IUPAC Name	4-(4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid
InChI	InChI=1S/C13H11NO3/c1-8-2-4-9(5-3-8)12(15)10-6-11(13(16)17)14-7-10/h2-7,14H,1H3,(H,16,17)
InChI Key	IIYIMZHXXGPZGB-UHFFFAOYSA-N
MDL Number	MFCD05663824
Molecular Formula	C13H11NO3
Molecular Weight	229.2313
SMILES	O=C(C1=CC(C(C2=CC=C(C)C=C2)=O)=CN1)O
Synonyms	4-(4-methylbenzoyl)-1H-pyrrole-2-carboxylic Acid, 886361-19-9, AC1MC9TJ, methylbenzoylpyrrolecarboxylicacid, CTK6B7643, ZINC170442, MFCD05663824, SBB097446, AKOS005071214, MCULE-2007083274, RP13201, AJ-17505, TR-063975, KS-00002101, 8X-0724, 4-[(4-methylphenyl)carbonyl]pyrrole-2-carboxylic acid, CID2764447,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.074g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	229.235g/mol
Monoisotopic Mass	229.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	70.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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