Name: Name:1-Oxo-1,2-dihydroisoquinoline-3-carboxylic acid
Brand: Angene
SKU: AG008O3P
Rating: 90 (10 reviews)

1-Oxo-1,2-dihydroisoquinoline-3-carboxylic acid

CAS No.:

7509-13-9

Catalog Number:

AG008O3P

Molecular Formula:

C10H7NO3

Molecular Weight:

189.1675

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Product Description

Catalog Number:

AG008O3P

Chemical Name:

1-Oxo-1,2-dihydroisoquinoline-3-carboxylic acid

CAS Number:

7509-13-9

Molecular Formula:

C10H7NO3

Molecular Weight:

189.1675

MDL Number:

MFCD01845162

IUPAC Name:

1-oxo-2H-isoquinoline-3-carboxylic acid

InChI:

InChI=1S/C10H7NO3/c12-9-7-4-2-1-3-6(7)5-8(11-9)10(13)14/h1-5H,(H,11,12)(H,13,14)

InChI Key:

KYWCUACNBIYDNL-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc2ccccc2c(=O)[nH]1

Properties

Complexity:

309

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

189.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.17g/mol

Monoisotopic Mass:

189.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties