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138690-39-8 | 1-Butanone, 1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-2-methyl-
CAS No: 138690-39-8 Catalog No: AG001910 MDL No:
Product Description
Catalog Number:
AG001910
Chemical Name:
1-Butanone, 1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-2-methyl-
CAS Number:
138690-39-8
Molecular Formula:
C14H20O4
Molecular Weight:
252.3062
IUPAC Name:
1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-2-methylbutan-1-one
InChI:
InChI=1S/C14H20O4/c1-6-7(2)11(15)10-12(16)8(3)14(18-5)9(4)13(10)17/h7,16-17H,6H2,1-5H3
InChI Key:
BHSDENIHTXKOKS-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1c(O)c(C)c(c(c1O)C)OC)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.31g/mol
Monoisotopic Mass:
252.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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