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87821-79-2 | 2-Cyclohexen-1-one, 2-acetyl-3-hydroxy-5-(pentamethylphenyl)-
CAS No: 87821-79-2 Catalog No: AG004K1G MDL No:
Product Description
Catalog Number:
AG004K1G
Chemical Name:
2-Cyclohexen-1-one, 2-acetyl-3-hydroxy-5-(pentamethylphenyl)-
CAS Number:
87821-79-2
Molecular Formula:
C19H24O3
Molecular Weight:
300.3921
IUPAC Name:
2-acetyl-3-hydroxy-5-(2,3,4,5,6-pentamethylphenyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C19H24O3/c1-9-10(2)12(4)18(13(5)11(9)3)15-7-16(21)19(14(6)20)17(22)8-15/h15,21H,7-8H2,1-6H3
InChI Key:
SMGHYWAJALNADZ-UHFFFAOYSA-N
SMILES:
CC(=O)C1=C(O)CC(CC1=O)c1c(C)c(C)c(c(c1C)C)C
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.398g/mol
Monoisotopic Mass:
300.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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