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Home > Other Heterocycles > 117146-44-8
117146-44-8 | 3,4-dihydro-2H-spiro[naphthalene-1,2'-oxirane]-3'-carbonitrile
CAS No: 117146-44-8 Catalog No: AG01C6OK MDL No:
Product Description
Catalog Number:
AG01C6OK
Chemical Name:
3,4-dihydro-2H-spiro[naphthalene-1,2'-oxirane]-3'-carbonitrile
CAS Number:
117146-44-8
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
spiro[2,3-dihydro-1H-naphthalene-4,3'-oxirane]-2'-carbonitrile
InChI:
InChI=1S/C12H11NO/c13-8-11-12(14-11)7-3-5-9-4-1-2-6-10(9)12/h1-2,4,6,11H,3,5,7H2
InChI Key:
DBMVWSSEIFXVGH-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCCc1c2cccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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