Name: Name:1H-Isoindole-5-carboxylic acid,2,3-dihydro-2-(2-methylphenyl)-1,3-dioxo-
Brand: Angene
SKU: AG00HBRU
Rating: 90 (10 reviews)

1H-Isoindole-5-carboxylic acid,2,3-dihydro-2-(2-methylphenyl)-1,3-dioxo-

CAS No.:

110768-31-5

Catalog Number:

AG00HBRU

Molecular Formula:

C16H11NO4

Molecular Weight:

281.2628

Catalog Number:

AG00HBRU

Chemical Name:

1H-Isoindole-5-carboxylic acid,2,3-dihydro-2-(2-methylphenyl)-1,3-dioxo-

CAS Number:

110768-31-5

Molecular Formula:

C16H11NO4

Molecular Weight:

281.2628

MDL Number:

MFCD00187749

IUPAC Name:

2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid

InChI:

InChI=1S/C16H11NO4/c1-9-4-2-3-5-13(9)17-14(18)11-7-6-10(16(20)21)8-12(11)15(17)19/h2-8H,1H3,(H,20,21)

InChI Key:

XVDRNJOUTFCUSS-UHFFFAOYSA-N

SMILES:

O=C1c2cc(ccc2C(=O)N1c1ccccc1C)C(=O)O

Complexity:

475

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.267g/mol

Monoisotopic Mass:

281.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3