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146743-95-5 | 3-Isoquinolinecarboxylic acid, 6,7-dihydroxy-
CAS No: 146743-95-5 Catalog No: AG001EAA MDL No:
Product Description
Catalog Number:
AG001EAA
Chemical Name:
3-Isoquinolinecarboxylic acid, 6,7-dihydroxy-
CAS Number:
146743-95-5
Molecular Formula:
C10H7NO4
Molecular Weight:
205.1669
IUPAC Name:
6,7-dihydroxyisoquinoline-3-carboxylic acid
InChI:
InChI=1S/C10H7NO4/c12-8-2-5-1-7(10(14)15)11-4-6(5)3-9(8)13/h1-4,12-13H,(H,14,15)
InChI Key:
PQOLJBHSFABTRG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc2c(c1)cc(c(c2)O)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.169g/mol
Monoisotopic Mass:
205.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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