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113419-51-5 | Methanone, (3,4-dihydroxyphenyl)[4-(dodecyloxy)phenyl]-
CAS No: 113419-51-5 Catalog No: AG0008IJ MDL No:
Product Description
Catalog Number:
AG0008IJ
Chemical Name:
Methanone, (3,4-dihydroxyphenyl)[4-(dodecyloxy)phenyl]-
CAS Number:
113419-51-5
Molecular Formula:
C25H34O4
Molecular Weight:
398.5351
IUPAC Name:
(3,4-dihydroxyphenyl)-(4-dodecoxyphenyl)methanone
InChI:
InChI=1S/C25H34O4/c1-2-3-4-5-6-7-8-9-10-11-18-29-22-15-12-20(13-16-22)25(28)21-14-17-23(26)24(27)19-21/h12-17,19,26-27H,2-11,18H2,1H3
InChI Key:
UKBATLWRMFITCL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)C(=O)c1ccc(c(c1)O)O
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.246g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.543g/mol
Monoisotopic Mass:
398.246g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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