Name: Name:3-[(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)amino]benzoic acid
Brand: Angene
SKU: AG01BCOR
Rating: 90 (10 reviews)

3-[(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)amino]benzoic acid

CAS No.:

1803593-41-0

Catalog Number:

AG01BCOR

Molecular Formula:

C15H14N2O4

Molecular Weight:

286.2827

Catalog Number:

AG01BCOR

Chemical Name:

3-[(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)amino]benzoic acid

CAS Number:

1803593-41-0

Molecular Formula:

C15H14N2O4

Molecular Weight:

286.2827

MDL Number:

MFCD27980978

IUPAC Name:

3-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)amino]benzoic acid

InChI:

InChI=1S/C15H14N2O4/c18-13-11-6-1-2-7-12(11)14(19)17(13)16-10-5-3-4-9(8-10)15(20)21/h1-5,8,11-12,16H,6-7H2,(H,20,21)

InChI Key:

HJBRBUAWGHYOIK-UHFFFAOYSA-N

SMILES:

O=C1N(Nc2cccc(c2)C(=O)O)C(=O)C2C1CC=CC2

Complexity:

476

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

286.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.287g/mol

Monoisotopic Mass:

286.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8