Name: Name:3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Brand: Angene
SKU: AG01BKFK
Rating: 90 (10 reviews)

3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

CAS No.:

1779370-06-7

Catalog Number:

AG01BKFK

Molecular Formula:

C10H9NO3

Molecular Weight:

191.1834

Catalog Number:

AG01BKFK

Chemical Name:

3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

CAS Number:

1779370-06-7

Molecular Formula:

C10H9NO3

Molecular Weight:

191.1834

MDL Number:

MFCD28642256

IUPAC Name:

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

InChI:

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

InChI Key:

HUBIWGYGIXZCDE-UHFFFAOYSA-N

SMILES:

O=C1Cc2ccccc2C(N1)C(=O)O

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