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Home > Other Heterocycles > 65619-70-7
65619-70-7 | 8-(3-Methylphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CAS No: 65619-70-7 Catalog No: AG00IBIF MDL No:MFCD20265516
Product Description
Catalog Number:
AG00IBIF
Chemical Name:
8-(3-Methylphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CAS Number:
65619-70-7
MDL Number:
MFCD20265516
IUPAC Name:
8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
InChI:
InChI=1S/C16H19NO2/c1-13-3-2-4-14(11-13)15(12-17)5-7-16(8-6-15)18-9-10-19-16/h2-4,11H,5-10H2,1H3
InChI Key:
FPYOHXLXBSJGSP-UHFFFAOYSA-N
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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