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125079-05-2 | Octanoic acid, 8-(pentylthio)-, methyl ester
CAS No: 125079-05-2 Catalog No: AG000N3V MDL No:
Product Description
Catalog Number:
AG000N3V
Chemical Name:
Octanoic acid, 8-(pentylthio)-, methyl ester
CAS Number:
125079-05-2
Molecular Formula:
C14H28O2S
Molecular Weight:
260.4359
IUPAC Name:
methyl 8-pentylsulfanyloctanoate
InChI:
InChI=1S/C14H28O2S/c1-3-4-9-12-17-13-10-7-5-6-8-11-14(15)16-2/h3-13H2,1-2H3
InChI Key:
ZVLBGLSJLZGUGU-UHFFFAOYSA-N
SMILES:
CCCCCSCCCCCCCC(=O)OC
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.181g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.436g/mol
Monoisotopic Mass:
260.181g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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