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3062-70-2 | Dodecanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl ester
CAS No: 3062-70-2 Catalog No: AG0030OZ MDL No:
Product Description
Catalog Number:
AG0030OZ
Chemical Name:
Dodecanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl ester
CAS Number:
3062-70-2
Molecular Formula:
C26H44O3
Molecular Weight:
404.6258
IUPAC Name:
(3,5-ditert-butyl-4-hydroxyphenyl) dodecanoate
InChI:
InChI=1S/C26H44O3/c1-8-9-10-11-12-13-14-15-16-17-23(27)29-20-18-21(25(2,3)4)24(28)22(19-20)26(5,6)7/h18-19,28H,8-17H2,1-7H3
InChI Key:
JEFXHTYWPYAOSN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)Oc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.329g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.635g/mol
Monoisotopic Mass:
404.329g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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