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Home > Other Heterocycles > 664362-65-6
664362-65-6 | 1-Naphthalenecarbonitrile, 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-
CAS No: 664362-65-6 Catalog No: AG006LKG MDL No:
Product Description
Catalog Number:
AG006LKG
Chemical Name:
1-Naphthalenecarbonitrile, 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-
CAS Number:
664362-65-6
Molecular Formula:
C18H18N2O2
Molecular Weight:
294.3477
IUPAC Name:
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)naphthalene-1-carbonitrile
InChI:
InChI=1S/C18H18N2O2/c19-13-14-5-6-17(16-4-2-1-3-15(14)16)20-9-7-18(8-10-20)21-11-12-22-18/h1-6H,7-12H2
InChI Key:
IMNRZUJBZQHXQI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccc2)N1CCC2(CC1)OCCO2
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.354g/mol
Monoisotopic Mass:
294.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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