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147024-36-0 | 2,4-Cyclohexadien-1-one, 2,4-bis(1,1-dimethylethyl)-6-(phenylimino)-
CAS No: 147024-36-0 Catalog No: AG001EIG MDL No:
Product Description
Catalog Number:
AG001EIG
Chemical Name:
2,4-Cyclohexadien-1-one, 2,4-bis(1,1-dimethylethyl)-6-(phenylimino)-
CAS Number:
147024-36-0
Molecular Formula:
C20H25NO
Molecular Weight:
295.4186
IUPAC Name:
2,4-ditert-butyl-6-phenyliminocyclohexa-2,4-dien-1-one
InChI:
InChI=1S/C20H25NO/c1-19(2,3)14-12-16(20(4,5)6)18(22)17(13-14)21-15-10-8-7-9-11-15/h7-13H,1-6H3
InChI Key:
QJFGFKMTUWBTJU-UHFFFAOYSA-N
SMILES:
O=C1C(=Nc2ccccc2)C=C(C=C1C(C)(C)C)C(C)(C)C
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.194g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.426g/mol
Monoisotopic Mass:
295.194g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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