Name: Name:2-[4-(2-formyl-1H-pyrrol-1-yl)phenyl]acetic acid
Brand: Angene
SKU: AG01C03F
Rating: 90 (10 reviews)

2-[4-(2-formyl-1H-pyrrol-1-yl)phenyl]acetic acid

CAS No.:

944892-35-7

Catalog Number:

AG01C03F

Molecular Formula:

C13H11NO3

Molecular Weight:

229.2313

Catalog Number:

AG01C03F

Chemical Name:

2-[4-(2-formyl-1H-pyrrol-1-yl)phenyl]acetic acid

CAS Number:

944892-35-7

Molecular Formula:

C13H11NO3

Molecular Weight:

229.2313

MDL Number:

MFCD09755786

IUPAC Name:

2-[4-(2-formylpyrrol-1-yl)phenyl]acetic acid

InChI:

InChI=1S/C13H11NO3/c15-9-12-2-1-7-14(12)11-5-3-10(4-6-11)8-13(16)17/h1-7,9H,8H2,(H,16,17)

InChI Key:

IGUXUVNKBKOREZ-UHFFFAOYSA-N

SMILES:

O=Cc1cccn1c1ccc(cc1)CC(=O)O

Complexity:

284

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.235g/mol

Monoisotopic Mass:

229.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6