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Home > Other Heterocycles > 51509-98-9
51509-98-9 | 1,4-Dioxaspiro[4.5]decane-8-carbonitrile, 8-phenyl-
CAS No: 51509-98-9 Catalog No: AG006VN6 MDL No:
Product Description
Catalog Number:
AG006VN6
Chemical Name:
1,4-Dioxaspiro[4.5]decane-8-carbonitrile, 8-phenyl-
CAS Number:
51509-98-9
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
8-phenyl-1,4-dioxaspiro[4.5]decane-8-carbonitrile
InChI:
InChI=1S/C15H17NO2/c16-12-14(13-4-2-1-3-5-13)6-8-15(9-7-14)17-10-11-18-15/h1-5H,6-11H2
InChI Key:
NGPVZFGEMDNOTA-UHFFFAOYSA-N
SMILES:
N#CC1(CCC2(CC1)OCCO2)c1ccccc1
Properties
Complexity:
335
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:
2.1
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