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827340-77-2 | Propanoic acid, 3-(methylthio)-, 2-propenyl ester
CAS No: 827340-77-2 Catalog No: AG004ZPQ MDL No:
Product Description
Catalog Number:
AG004ZPQ
Chemical Name:
Propanoic acid, 3-(methylthio)-, 2-propenyl ester
CAS Number:
827340-77-2
Molecular Formula:
C7H12O2S
Molecular Weight:
160.2340
IUPAC Name:
prop-2-enyl 3-methylsulfanylpropanoate
InChI:
InChI=1S/C7H12O2S/c1-3-5-9-7(8)4-6-10-2/h3H,1,4-6H2,2H3
InChI Key:
UDCDRMHQMJRQHS-UHFFFAOYSA-N
SMILES:
CSCCC(=O)OCC=C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.231g/mol
Monoisotopic Mass:
160.056g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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