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Home > Other Heterocycles > 478041-28-0
478041-28-0 | 2-(4-methoxyphenyl)-6,6-dimethyl-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile
CAS No: 478041-28-0 Catalog No: AG00ITNB MDL No:MFCD02186229
Product Description
Catalog Number:
AG00ITNB
Chemical Name:
2-(4-methoxyphenyl)-6,6-dimethyl-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile
CAS Number:
478041-28-0
Molecular Formula:
C19H18N2O3
Molecular Weight:
322.3578
MDL Number:
MFCD02186229
IUPAC Name:
1-(4-methoxyphenyl)-6,6-dimethyl-4,8-dioxospiro[2.5]octane-2,2-dicarbonitrile
InChI:
InChI=1S/C19H18N2O3/c1-17(2)8-14(22)19(15(23)9-17)16(18(19,10-20)11-21)12-4-6-13(24-3)7-5-12/h4-7,16H,8-9H2,1-3H3
InChI Key:
YVXIYWJTZRPJRJ-UHFFFAOYSA-N
SMILES:
N#CC1(C#N)C(C21C(=O)CC(CC2=O)(C)C)c1ccc(cc1)OC
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.132g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.364g/mol
Monoisotopic Mass:
322.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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