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144703-17-3 | Propanedioic acid, 2-[5-(propylthio)pentyl]-, 1,3-dimethyl ester
CAS No: 144703-17-3 Catalog No: AG001K1R MDL No:
Product Description
Catalog Number:
AG001K1R
Chemical Name:
Propanedioic acid, 2-[5-(propylthio)pentyl]-, 1,3-dimethyl ester
CAS Number:
144703-17-3
Molecular Formula:
C13H24O4S
Molecular Weight:
276.3923
IUPAC Name:
dimethyl 2-(5-propylsulfanylpentyl)propanedioate
InChI:
InChI=1S/C13H24O4S/c1-4-9-18-10-7-5-6-8-11(12(14)16-2)13(15)17-3/h11H,4-10H2,1-3H3
InChI Key:
YDFIUYSKZJQGID-UHFFFAOYSA-N
SMILES:
CCCSCCCCCC(C(=O)OC)C(=O)OC
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.14g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.391g/mol
Monoisotopic Mass:
276.14g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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