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89810-51-5 | Dodecanoic acid, 4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl ester
CAS No: 89810-51-5 Catalog No: AG003ZAX MDL No:
Product Description
Catalog Number:
AG003ZAX
Chemical Name:
Dodecanoic acid, 4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl ester
CAS Number:
89810-51-5
Molecular Formula:
C27H38O3
Molecular Weight:
410.5888
IUPAC Name:
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] dodecanoate
InChI:
InChI=1S/C27H38O3/c1-4-5-6-7-8-9-10-11-12-13-26(29)30-25-20-16-23(17-21-25)27(2,3)22-14-18-24(28)19-15-22/h14-21,28H,4-13H2,1-3H3
InChI Key:
WYWBIZVSBHBZJH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)Oc1ccc(cc1)C(c1ccc(cc1)O)(C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.282g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
410.598g/mol
Monoisotopic Mass:
410.282g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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