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88924-67-8 | 1-Hexanone, 1-(2,4-dihydroxy-3,5-dimethylphenyl)-
CAS No: 88924-67-8 Catalog No: AG00488D MDL No:
Product Description
Catalog Number:
AG00488D
Chemical Name:
1-Hexanone, 1-(2,4-dihydroxy-3,5-dimethylphenyl)-
CAS Number:
88924-67-8
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
1-(2,4-dihydroxy-3,5-dimethylphenyl)hexan-1-one
InChI:
InChI=1S/C14H20O3/c1-4-5-6-7-12(15)11-8-9(2)13(16)10(3)14(11)17/h8,16-17H,4-7H2,1-3H3
InChI Key:
QZIIIFXEYRSFCG-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)c1cc(C)c(c(c1O)C)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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