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88174-74-7 | 2-Cyclohexen-1-one, 5-(3-ethyl-2,4,5,6-tetramethylphenyl)-3-hydroxy-
CAS No: 88174-74-7 Catalog No: AG004F0C MDL No:
Product Description
Catalog Number:
AG004F0C
Chemical Name:
2-Cyclohexen-1-one, 5-(3-ethyl-2,4,5,6-tetramethylphenyl)-3-hydroxy-
CAS Number:
88174-74-7
Molecular Formula:
C18H24O2
Molecular Weight:
272.3820
IUPAC Name:
5-(3-ethyl-2,4,5,6-tetramethylphenyl)-3-hydroxycyclohex-2-en-1-one
InChI:
InChI=1S/C18H24O2/c1-6-17-11(3)10(2)12(4)18(13(17)5)14-7-15(19)9-16(20)8-14/h9,14,19H,6-8H2,1-5H3
InChI Key:
CKQQHNASUZMEMZ-UHFFFAOYSA-N
SMILES:
CCc1c(C)c(C2CC(=CC(=O)C2)O)c(c(c1C)C)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.388g/mol
Monoisotopic Mass:
272.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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