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20461-97-6 | Propanoic acid, 2-(ethylthio)-, ethyl ester
CAS No: 20461-97-6 Catalog No: AG0029LW MDL No:
Product Description
Catalog Number:
AG0029LW
Chemical Name:
Propanoic acid, 2-(ethylthio)-, ethyl ester
CAS Number:
20461-97-6
Molecular Formula:
C7H14O2S
Molecular Weight:
162.2499
IUPAC Name:
ethyl 2-ethylsulfanylpropanoate
InChI:
InChI=1S/C7H14O2S/c1-4-9-7(8)6(3)10-5-2/h6H,4-5H2,1-3H3
InChI Key:
KCOSZCVXUFGOSI-UHFFFAOYSA-N
SMILES:
CCSC(C(=O)OCC)C
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.071g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.247g/mol
Monoisotopic Mass:
162.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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