Name: Name:5-(1H-pyrrol-1-yl)isophthalic acid
Brand: Angene
SKU: AG00J8IO
Rating: 90 (10 reviews)

5-(1H-pyrrol-1-yl)isophthalic acid

CAS No.:

944894-38-6

Catalog Number:

AG00J8IO

Molecular Formula:

C12H9NO4

Molecular Weight:

231.2042

Catalog Number:

AG00J8IO

Chemical Name:

5-(1H-pyrrol-1-yl)isophthalic acid

CAS Number:

944894-38-6

Molecular Formula:

C12H9NO4

Molecular Weight:

231.2042

MDL Number:

MFCD09755869

IUPAC Name:

5-pyrrol-1-ylbenzene-1,3-dicarboxylic acid

InChI:

InChI=1S/C12H9NO4/c14-11(15)8-5-9(12(16)17)7-10(6-8)13-3-1-2-4-13/h1-7H,(H,14,15)(H,16,17)

InChI Key:

MISWECJRMOKHHJ-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(cc(c1)n1cccc1)C(=O)O

Complexity:

290

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.207g/mol

Monoisotopic Mass:

231.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4