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148731-30-0 | Benzoic acid, 4-hydroxy-, 4-(dodecyloxy)phenyl ester
CAS No: 148731-30-0 Catalog No: AG001L61 MDL No:
Product Description
Catalog Number:
AG001L61
Chemical Name:
Benzoic acid, 4-hydroxy-, 4-(dodecyloxy)phenyl ester
CAS Number:
148731-30-0
Molecular Formula:
C25H34O4
Molecular Weight:
398.5351
IUPAC Name:
(4-dodecoxyphenyl) 4-hydroxybenzoate
InChI:
InChI=1S/C25H34O4/c1-2-3-4-5-6-7-8-9-10-11-20-28-23-16-18-24(19-17-23)29-25(27)21-12-14-22(26)15-13-21/h12-19,26H,2-11,20H2,1H3
InChI Key:
PERYDRPRBMWDOF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)O
Properties
Complexity:
409
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:
1
Isotope Atom Count:
0
Molecular Weight:
398.543g/mol
Monoisotopic Mass:
398.246g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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