AG01EIGM

Name: 4-[(2-formyl-1H-pyrrol-1-yl)methyl]benzoic acid
Brand: Angene Chemical
SKU: AG01EIGM

1083350-94-0 | 4-[(2-formyl-1H-pyrrol-1-yl)methyl]benzoic acid

AG01EIGM

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CAS Number	1083350-94-0
Catalog Number	AG01EIGM
Chemical Name	4-[(2-formyl-1H-pyrrol-1-yl)methyl]benzoic acid
IUPAC Name	4-[(2-formylpyrrol-1-yl)methyl]benzoic acid
InChI	InChI=1S/C13H11NO3/c15-9-12-2-1-7-14(12)8-10-3-5-11(6-4-10)13(16)17/h1-7,9H,8H2,(H,16,17)
InChI Key	GQFFZQUJRBAKOK-UHFFFAOYSA-N
MDL Number	MFCD11909525
Molecular Formula	C13H11NO3
Molecular Weight	229.2313
SMILES	OC(C1=CC=C(CN2C(C=O)=CC=C2)C=C1)=O
Synonyms	4-[(2-formyl-1H-pyrrol-1-yl)methyl]benzoic acid, ZINC20447598, AKOS016370759, MCULE-6774627651, Z2681261984, 4-[(2-formyl-1H-pyrrol-1-yl)methyl]benzoic acid, AldrichCPR, 1083350-94-0,

Complexity	284
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	1
Isotope Atom Count	0
Molecular Weight	229.235g/mol
Monoisotopic Mass	229.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	59.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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