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Home > Other Heterocycles > 1879399-03-7
1879399-03-7 | 3,4-dihydro-1H-spiro[naphthalene-2,2'-oxirane]-3'-carbonitrile
CAS No: 1879399-03-7 Catalog No: AG01C6OJ MDL No:
Product Description
Catalog Number:
AG01C6OJ
Chemical Name:
3,4-dihydro-1H-spiro[naphthalene-2,2'-oxirane]-3'-carbonitrile
CAS Number:
1879399-03-7
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
spiro[2,4-dihydro-1H-naphthalene-3,3'-oxirane]-2'-carbonitrile
InChI:
InChI=1S/C12H11NO/c13-8-11-12(14-11)6-5-9-3-1-2-4-10(9)7-12/h1-4,11H,5-7H2
InChI Key:
KHAJICWVRRCICD-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCc1c(C2)cccc1
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:
1.9
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