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Home > Other Heterocycles > 149507-27-7
149507-27-7 | Benzonitrile, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-
CAS No: 149507-27-7 Catalog No: AG001LSC MDL No:
Product Description
Catalog Number:
AG001LSC
Chemical Name:
Benzonitrile, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-
CAS Number:
149507-27-7
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
4-(1,4-dioxaspiro[4.5]decan-8-yl)benzonitrile
InChI:
InChI=1S/C15H17NO2/c16-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)17-9-10-18-15/h1-4,14H,5-10H2
InChI Key:
WRYSOYQQVCTJIL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1CCC2(CC1)OCCO2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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