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1158754-94-9 | 6-Isoquinolinecarboxamide
CAS No: 1158754-94-9 Catalog No: AG000GZZ MDL No:MFCD12406162
Product Description
Catalog Number:
AG000GZZ
Chemical Name:
6-Isoquinolinecarboxamide
CAS Number:
1158754-94-9
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD12406162
IUPAC Name:
isoquinoline-6-carboxamide
InChI:
InChI=1S/C10H8N2O/c11-10(13)8-1-2-9-6-12-4-3-7(9)5-8/h1-6H,(H2,11,13)
InChI Key:
MBJVWMQHKCGMLZ-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc2c(c1)ccnc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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