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71925-40-1 | 1,4-Methanonaphthalene-5-carbonitrile, 1,2,3,4-tetrahydro-2-oxo-
CAS No: 71925-40-1 Catalog No: AG005EWZ MDL No:MFCD09870021
Product Description
Catalog Number:
AG005EWZ
Chemical Name:
1,4-Methanonaphthalene-5-carbonitrile, 1,2,3,4-tetrahydro-2-oxo-
CAS Number:
71925-40-1
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
MDL Number:
MFCD09870021
IUPAC Name:
9-oxotricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carbonitrile
InChI:
InChI=1S/C12H9NO/c13-6-7-2-1-3-9-10-4-8(12(7)9)5-11(10)14/h1-3,8,10H,4-5H2
InChI Key:
XYGORIQAOOUZPM-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1C1CC(=O)C2C1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.21g/mol
Monoisotopic Mass:
183.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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