Name: Name:2H-Isoindole-2-acetic acid, 1,3-dihydro-1-oxo-, methyl ester
Brand: Angene
SKU: AG00IJQO
Rating: 90 (10 reviews)

2H-Isoindole-2-acetic acid, 1,3-dihydro-1-oxo-, methyl ester

CAS No.:

96017-03-7

Catalog Number:

AG00IJQO

Molecular Formula:

C11H11NO3

Molecular Weight:

205.2099

Catalog Number:

AG00IJQO

Chemical Name:

2H-Isoindole-2-acetic acid, 1,3-dihydro-1-oxo-, methyl ester

CAS Number:

96017-03-7

Molecular Formula:

C11H11NO3

Molecular Weight:

205.2099

MDL Number:

MFCD04124610

IUPAC Name:

methyl 2-(3-oxo-1H-isoindol-2-yl)acetate

InChI:

InChI=1S/C11H11NO3/c1-15-10(13)7-12-6-8-4-2-3-5-9(8)11(12)14/h2-5H,6-7H2,1H3

InChI Key:

UWCZAKDBXHZFFX-UHFFFAOYSA-N

SMILES:

COC(=O)CN1Cc2c(C1=O)cccc2

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.213g/mol

Monoisotopic Mass:

205.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9