Name: Name:4-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-oxo-
Brand: Angene
SKU: AG00046A
Rating: 90 (10 reviews)

4-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-oxo-

CAS No.:

101301-17-1

Catalog Number:

AG00046A

Molecular Formula:

C10H9NO3

Molecular Weight:

191.1834

Catalog Number:

AG00046A

Chemical Name:

4-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-oxo-

CAS Number:

101301-17-1

Molecular Formula:

C10H9NO3

Molecular Weight:

191.1834

MDL Number:

MFCD12405096

IUPAC Name:

1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxylic acid

InChI:

InChI=1S/C10H9NO3/c12-9-7-4-2-1-3-6(7)8(5-11-9)10(13)14/h1-4,8H,5H2,(H,11,12)(H,13,14)

InChI Key:

NUKMVZOGJJLXBA-UHFFFAOYSA-N

SMILES:

OC(=O)C1CNC(=O)c2c1cccc2

Complexity:

264

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

191.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

191.186g/mol

Monoisotopic Mass:

191.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5