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Home > Other Heterocycles > 132462-23-8
132462-23-8 | 1,4-Dioxa-7-azaspiro[4.5]decane-8-carbonitrile, 7-(phenylmethyl)-
CAS No: 132462-23-8 Catalog No: AG0010P9 MDL No:MFCD12408082
Product Description
Catalog Number:
AG0010P9
Chemical Name:
1,4-Dioxa-7-azaspiro[4.5]decane-8-carbonitrile, 7-(phenylmethyl)-
CAS Number:
132462-23-8
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
MDL Number:
MFCD12408082
IUPAC Name:
9-benzyl-1,4-dioxa-9-azaspiro[4.5]decane-8-carbonitrile
InChI:
InChI=1S/C15H18N2O2/c16-10-14-6-7-15(18-8-9-19-15)12-17(14)11-13-4-2-1-3-5-13/h1-5,14H,6-9,11-12H2
InChI Key:
GSRMGPHDKVTGIE-UHFFFAOYSA-N
SMILES:
N#CC1CCC2(CN1Cc1ccccc1)OCCO2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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