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14033-86-4 | 2,5-Cyclohexadien-1-one, 2,6-dimethyl-4-[(2,4,6-trimethylphenyl)imino]-
CAS No: 14033-86-4 Catalog No: AG001C9L MDL No:
Product Description
Catalog Number:
AG001C9L
Chemical Name:
2,5-Cyclohexadien-1-one, 2,6-dimethyl-4-[(2,4,6-trimethylphenyl)imino]-
CAS Number:
14033-86-4
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
IUPAC Name:
2,6-dimethyl-4-(2,4,6-trimethylphenyl)iminocyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C17H19NO/c1-10-6-11(2)16(12(3)7-10)18-15-8-13(4)17(19)14(5)9-15/h6-9H,1-5H3
InChI Key:
RACZEZIYRNBFIJ-UHFFFAOYSA-N
SMILES:
CC1=CC(=Nc2c(C)cc(cc2C)C)C=C(C1=O)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.345g/mol
Monoisotopic Mass:
253.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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