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1171808-03-9 | 4-Isoquinolinecarboxylic acid, 1,2-dihydro-2-Methyl-1-oxo-, hydrazide
CAS No: 1171808-03-9 Catalog No: AG000DUD MDL No:MFCD14281987
Product Description
Catalog Number:
AG000DUD
Chemical Name:
4-Isoquinolinecarboxylic acid, 1,2-dihydro-2-Methyl-1-oxo-, hydrazide
CAS Number:
1171808-03-9
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD14281987
IUPAC Name:
2-methyl-1-oxoisoquinoline-4-carbohydrazide
InChI:
InChI=1S/C11H11N3O2/c1-14-6-9(10(15)13-12)7-4-2-3-5-8(7)11(14)16/h2-6H,12H2,1H3,(H,13,15)
InChI Key:
LIGMVENSDPDKRV-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cn(C)c(=O)c2c1cccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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