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Home > Other Heterocycles > 65619-84-3
65619-84-3 | 1,4-Dioxaspiro[4.5]decane-8-carbonitrile, 8-(3-hydroxyphenyl)-
CAS No: 65619-84-3 Catalog No: AG006QJB MDL No:
Product Description
Catalog Number:
AG006QJB
Chemical Name:
1,4-Dioxaspiro[4.5]decane-8-carbonitrile, 8-(3-hydroxyphenyl)-
CAS Number:
65619-84-3
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
IUPAC Name:
8-(3-hydroxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
InChI:
InChI=1S/C15H17NO3/c16-11-14(12-2-1-3-13(17)10-12)4-6-15(7-5-14)18-8-9-19-15/h1-3,10,17H,4-9H2
InChI Key:
QYZWFXLNMNEXNH-UHFFFAOYSA-N
SMILES:
N#CC1(CCC2(CC1)OCCO2)c1cccc(c1)O
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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