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19912-56-2 | 4a(2H)-Naphthalenecarbonitrile, 3,4,5,6,7,8-hexahydro-1-methyl-2-oxo-
CAS No: 19912-56-2 Catalog No: AG002BXS MDL No:
Product Description
Catalog Number:
AG002BXS
Chemical Name:
4a(2H)-Naphthalenecarbonitrile, 3,4,5,6,7,8-hexahydro-1-methyl-2-oxo-
CAS Number:
19912-56-2
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
8-methyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carbonitrile
InChI:
InChI=1S/C12H15NO/c1-9-10-4-2-3-6-12(10,8-13)7-5-11(9)14/h2-7H2,1H3
InChI Key:
QVALVKHSZDDSGB-UHFFFAOYSA-N
SMILES:
N#CC12CCCCC2=C(C(=O)CC1)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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