Name: Name:1H-Isoindole-5-carboxylic acid, 2,3-dihydro-3-oxo-
Brand: Angene
SKU: AG002N2G
Rating: 90 (10 reviews)

1H-Isoindole-5-carboxylic acid, 2,3-dihydro-3-oxo-

CAS No.:

23386-41-6

Catalog Number:

AG002N2G

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

Catalog Number:

AG002N2G

Chemical Name:

1H-Isoindole-5-carboxylic acid, 2,3-dihydro-3-oxo-

CAS Number:

23386-41-6

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

MDL Number:

MFCD09701284

IUPAC Name:

3-oxo-1,2-dihydroisoindole-5-carboxylic acid

InChI:

InChI=1S/C9H7NO3/c11-8-7-3-5(9(12)13)1-2-6(7)4-10-8/h1-3H,4H2,(H,10,11)(H,12,13)

InChI Key:

VJAXCBJUBWJIRY-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2c(c1)C(=O)NC2

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.159g/mol

Monoisotopic Mass:

177.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3