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83791-06-4 | Undecanoic acid, 4-hydroxyphenyl ester
CAS No: 83791-06-4 Catalog No: AG004SJZ MDL No:
Product Description
Catalog Number:
AG004SJZ
Chemical Name:
Undecanoic acid, 4-hydroxyphenyl ester
CAS Number:
83791-06-4
Molecular Formula:
C17H26O3
Molecular Weight:
278.3865
IUPAC Name:
(4-hydroxyphenyl) undecanoate
InChI:
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-10-17(19)20-16-13-11-15(18)12-14-16/h11-14,18H,2-10H2,1H3
InChI Key:
IYCNYEJVVHGDID-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(=O)Oc1ccc(cc1)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.188g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.392g/mol
Monoisotopic Mass:
278.188g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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