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88174-87-2 | 2-Cyclohexen-1-one, 3-hydroxy-5-(2-methoxy-3,4,6-trimethylphenyl)-
CAS No: 88174-87-2 Catalog No: AG004D5Z MDL No:
Product Description
Catalog Number:
AG004D5Z
Chemical Name:
2-Cyclohexen-1-one, 3-hydroxy-5-(2-methoxy-3,4,6-trimethylphenyl)-
CAS Number:
88174-87-2
Molecular Formula:
C16H20O3
Molecular Weight:
260.3282
IUPAC Name:
3-hydroxy-5-(2-methoxy-3,4,6-trimethylphenyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C16H20O3/c1-9-5-10(2)15(16(19-4)11(9)3)12-6-13(17)8-14(18)7-12/h5,8,12,17H,6-7H2,1-4H3
InChI Key:
YGYQFSJEVLJNFD-UHFFFAOYSA-N
SMILES:
COc1c(C2CC(=CC(=O)C2)O)c(C)cc(c1C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.333g/mol
Monoisotopic Mass:
260.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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