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104966-97-4 | 6-(10-Hydroxydecanoyl)-2,3-Dimethoxy-5-Methylphenol
CAS No: 104966-97-4 Catalog No: AG0034B6 MDL No:MFCD14584418
Product Description
Catalog Number:
AG0034B6
Chemical Name:
6-(10-Hydroxydecanoyl)-2,3-Dimethoxy-5-Methylphenol
CAS Number:
104966-97-4
Molecular Formula:
C19H30O5
Molecular Weight:
338.4385
MDL Number:
MFCD14584418
IUPAC Name:
10-hydroxy-1-(2-hydroxy-3,4-dimethoxy-6-methylphenyl)decan-1-one
InChI:
InChI=1S/C19H30O5/c1-14-13-16(23-2)19(24-3)18(22)17(14)15(21)11-9-7-5-4-6-8-10-12-20/h13,20,22H,4-12H2,1-3H3
InChI Key:
WBYOLDFLFONXGS-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCC(=O)c1c(C)cc(c(c1O)OC)OC
EC Number:
700-045-2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.209g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.444g/mol
Monoisotopic Mass:
338.209g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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