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106778-43-2 | 6-Isoquinolinecarboxylic Acid
CAS No: 106778-43-2 Catalog No: AG0034D7 MDL No:MFCD09910323
Product Description
Catalog Number:
AG0034D7
Chemical Name:
6-Isoquinolinecarboxylic Acid
CAS Number:
106778-43-2
MDL Number:
MFCD09910323
IUPAC Name:
isoquinoline-6-carboxylic acid
InChI:
InChI=1S/C10H7NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-6H,(H,12,13)
InChI Key:
ADAHADRJWVCICR-UHFFFAOYSA-N
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.171g/mol
Monoisotopic Mass:
173.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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