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1370592-57-6 | 2-HYDROXY-7,7-DIMETHYL-5,6,7,8-TETRAHYDRO-QUINOLINE-3-CARBONITRILE
CAS No: 1370592-57-6 Catalog No: AG01EJRC MDL No:MFCD03237394
Product Description
Catalog Number:
AG01EJRC
Chemical Name:
2-HYDROXY-7,7-DIMETHYL-5,6,7,8-TETRAHYDRO-QUINOLINE-3-CARBONITRILE
CAS Number:
1370592-57-6
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD03237394
IUPAC Name:
7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carbonitrile
InChI:
InChI=1S/C12H14N2O/c1-12(2)4-3-8-5-9(7-13)11(15)14-10(8)6-12/h5H,3-4,6H2,1-2H3,(H,14,15)
InChI Key:
KZAUZCBKNMGRDA-UHFFFAOYSA-N
SMILES:
N#Cc1cc2CCC(Cc2[nH]c1=O)(C)C
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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