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142282-07-3 | Undecenoic acid, 2-[(2-hydroxyethyl)thio]ethyl ester (9CI)
CAS No: 142282-07-3 Catalog No: AG001I4I MDL No:
Product Description
Catalog Number:
AG001I4I
Chemical Name:
Undecenoic acid, 2-[(2-hydroxyethyl)thio]ethyl ester (9CI)
CAS Number:
142282-07-3
Molecular Formula:
C15H28O3S
Molecular Weight:
288.4460
IUPAC Name:
2-(2-hydroxyethylsulfanyl)ethyl undec-2-enoate
InChI:
InChI=1S/C15H28O3S/c1-2-3-4-5-6-7-8-9-10-15(17)18-12-14-19-13-11-16/h9-10,16H,2-8,11-14H2,1H3
InChI Key:
JIUONVQRSDVVCY-UHFFFAOYSA-N
SMILES:
CCCCCCCCC=CC(=O)OCCSCCO
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.176g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.446g/mol
Monoisotopic Mass:
288.176g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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