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188926-16-1 | Undecanoic acid, 11-[(4-hydroxyphenyl)thio]-
CAS No: 188926-16-1 Catalog No: AG002HJR MDL No:
Product Description
Catalog Number:
AG002HJR
Chemical Name:
Undecanoic acid, 11-[(4-hydroxyphenyl)thio]-
CAS Number:
188926-16-1
Molecular Formula:
C17H26O3S
Molecular Weight:
310.4515
IUPAC Name:
11-(4-hydroxyphenyl)sulfanylundecanoic acid
InChI:
InChI=1S/C17H26O3S/c18-15-10-12-16(13-11-15)21-14-8-6-4-2-1-3-5-7-9-17(19)20/h10-13,18H,1-9,14H2,(H,19,20)
InChI Key:
IKMOUOCFPUFKKM-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCSc1ccc(cc1)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.16g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.452g/mol
Monoisotopic Mass:
310.16g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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