Name: Name:2-(1-oxo-1,2-dihydroisoquinolin-3-yl)acetic acid
Brand: Angene
SKU: AG01C1FV
Rating: 90 (10 reviews)

2-(1-oxo-1,2-dihydroisoquinolin-3-yl)acetic acid

CAS No.:

69391-35-1

Catalog Number:

AG01C1FV

Molecular Formula:

C11H9NO3

Molecular Weight:

203.1941

Catalog Number:

AG01C1FV

Chemical Name:

2-(1-oxo-1,2-dihydroisoquinolin-3-yl)acetic acid

CAS Number:

69391-35-1

Molecular Formula:

C11H9NO3

Molecular Weight:

203.1941

MDL Number:

MFCD24500646

IUPAC Name:

2-(1-oxo-2H-isoquinolin-3-yl)acetic acid

InChI:

InChI=1S/C11H9NO3/c13-10(14)6-8-5-7-3-1-2-4-9(7)11(15)12-8/h1-5H,6H2,(H,12,15)(H,13,14)

InChI Key:

SXFIXVKLRFTKOH-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1cc2ccccc2c(=O)[nH]1

Complexity:

322

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.197g/mol

Monoisotopic Mass:

203.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8