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87821-92-9 | 2-Cyclohexen-1-one, 3-hydroxy-5-(2,3,4,6-tetramethylphenyl)-
CAS No: 87821-92-9 Catalog No: AG004EOE MDL No:
Product Description
Catalog Number:
AG004EOE
Chemical Name:
2-Cyclohexen-1-one, 3-hydroxy-5-(2,3,4,6-tetramethylphenyl)-
CAS Number:
87821-92-9
Molecular Formula:
C16H20O2
Molecular Weight:
244.3288
IUPAC Name:
3-hydroxy-5-(2,3,4,6-tetramethylphenyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C16H20O2/c1-9-5-10(2)16(12(4)11(9)3)13-6-14(17)8-15(18)7-13/h5,8,13,17H,6-7H2,1-4H3
InChI Key:
MPEBXFHBNZGKLW-UHFFFAOYSA-N
SMILES:
OC1=CC(=O)CC(C1)c1c(C)cc(c(c1C)C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.146g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.334g/mol
Monoisotopic Mass:
244.146g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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