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10220-65-2 | Propanoic acid, 3-(benzoylthio)-, ethyl ester
CAS No: 10220-65-2 Catalog No: AG0006VQ MDL No:
Product Description
Catalog Number:
AG0006VQ
Chemical Name:
Propanoic acid, 3-(benzoylthio)-, ethyl ester
CAS Number:
10220-65-2
Molecular Formula:
C12H14O3S
Molecular Weight:
238.3028
IUPAC Name:
ethyl 3-benzoylsulfanylpropanoate
InChI:
InChI=1S/C12H14O3S/c1-2-15-11(13)8-9-16-12(14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:
XNAODHCURGAWCN-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCSC(=O)c1ccccc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.301g/mol
Monoisotopic Mass:
238.066g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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