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1247158-33-3 | 6-methyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS No: 1247158-33-3 Catalog No: AG01AH2F MDL No:MFCD16070467
Product Description
Catalog Number:
AG01AH2F
Chemical Name:
6-methyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Number:
1247158-33-3
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD16070467
IUPAC Name:
6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C11H12N2O/c1-7-2-3-10-8(4-7)5-9(6-12)11(14)13-10/h5,7H,2-4H2,1H3,(H,13,14)
InChI Key:
HAKGMNDLRXMAOH-UHFFFAOYSA-N
SMILES:
N#Cc1cc2CC(C)CCc2[nH]c1=O
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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