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88958-60-5 | 2-Nonenoic acid, 5-ethenyl-4-(methylthio)-, ethyl ester
CAS No: 88958-60-5 Catalog No: AG0047SV MDL No:
Product Description
Catalog Number:
AG0047SV
Chemical Name:
2-Nonenoic acid, 5-ethenyl-4-(methylthio)-, ethyl ester
CAS Number:
88958-60-5
Molecular Formula:
C14H24O2S
Molecular Weight:
256.4042
IUPAC Name:
ethyl 5-ethenyl-4-methylsulfanylnon-2-enoate
InChI:
InChI=1S/C14H24O2S/c1-5-8-9-12(6-2)13(17-4)10-11-14(15)16-7-3/h6,10-13H,2,5,7-9H2,1,3-4H3
InChI Key:
BWCIISDTDSJKSI-UHFFFAOYSA-N
SMILES:
CCCCC(C(C=CC(=O)OCC)SC)C=C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.15g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.404g/mol
Monoisotopic Mass:
256.15g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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