Name: Name:1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-, methyl ester
Brand: Angene
SKU: AG00IA46
Rating: 90 (10 reviews)

1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-, methyl ester

CAS No.:

56720-83-3

Catalog Number:

AG00IA46

Molecular Formula:

C10H7NO4

Molecular Weight:

205.1669

Catalog Number:

AG00IA46

Chemical Name:

1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-, methyl ester

CAS Number:

56720-83-3

Molecular Formula:

C10H7NO4

Molecular Weight:

205.1669

MDL Number:

MFCD00455850

IUPAC Name:

methyl 1,3-dioxoisoindole-5-carboxylate

InChI:

InChI=1S/C10H7NO4/c1-15-10(14)5-2-3-6-7(4-5)9(13)11-8(6)12/h2-4H,1H3,(H,11,12,13)

InChI Key:

JRFHQEZVUKIDMX-UHFFFAOYSA-N

SMILES:

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

Complexity:

325

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.169g/mol

Monoisotopic Mass:

205.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6