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23278-54-8 | 3,6,9-Trioxa-13-thiaheptadec-1-en-11-ol
CAS No: 23278-54-8 Catalog No: AG002MQQ MDL No:
Product Description
Catalog Number:
AG002MQQ
Chemical Name:
3,6,9-Trioxa-13-thiaheptadec-1-en-11-ol
CAS Number:
23278-54-8
Molecular Formula:
C13H26O4S
Molecular Weight:
278.4081
IUPAC Name:
1-butylsulfanyl-3-[2-(2-ethenoxyethoxy)ethoxy]propan-2-ol
InChI:
InChI=1S/C13H26O4S/c1-3-5-10-18-12-13(14)11-17-9-8-16-7-6-15-4-2/h4,13-14H,2-3,5-12H2,1H3
InChI Key:
KGGNTSFREJCCRO-UHFFFAOYSA-N
SMILES:
CCCCSCC(COCCOCCOC=C)O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.155g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.407g/mol
Monoisotopic Mass:
278.155g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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