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937670-91-2 | 2-HYDROXY-5,7-DIMETHYL-QUINOLINE-3-CARBONITRILE
CAS No: 937670-91-2 Catalog No: AG01C98V MDL No:MFCD09035790
Product Description
Catalog Number:
AG01C98V
Chemical Name:
2-HYDROXY-5,7-DIMETHYL-QUINOLINE-3-CARBONITRILE
CAS Number:
937670-91-2
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
MDL Number:
MFCD09035790
IUPAC Name:
5,7-dimethyl-2-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C12H10N2O/c1-7-3-8(2)10-5-9(6-13)12(15)14-11(10)4-7/h3-5H,1-2H3,(H,14,15)
InChI Key:
OMBGMGMFCIPVPZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(C)cc(cc2nc1O)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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