Home Other Building Blocks 4-[(2-formyl-1H-pyrrol-1-yl)methyl]benzoic acid

4-[(2-formyl-1H-pyrrol-1-yl)methyl]benzoic acid

CAS No.:
1083350-94-0
Catalog Number:
AG01EIGM
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
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Product Description
Catalog Number:
AG01EIGM
Chemical Name:
4-[(2-formyl-1H-pyrrol-1-yl)methyl]benzoic acid
CAS Number:
1083350-94-0
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD11909525
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
SMILES:
O=Cc1cccn1Cc1ccc(cc1)C(=O)O
Properties
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  
Properties