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1301214-62-9 | 7-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-
CAS No: 1301214-62-9 Catalog No: AG000U12 MDL No:MFCD20661106
Product Description
Catalog Number:
AG000U12
Chemical Name:
7-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-
CAS Number:
1301214-62-9
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD20661106
IUPAC Name:
1-oxo-2H-isoquinoline-7-carboxylic acid
InChI:
InChI=1S/C10H7NO3/c12-9-8-5-7(10(13)14)2-1-6(8)3-4-11-9/h1-5H,(H,11,12)(H,13,14)
InChI Key:
POVYCMYIJRLRGP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)c(=O)[nH]cc2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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