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137375-86-1 | Acetic acid, 2-(2-propen-1-ylsulfinyl)-
CAS No: 137375-86-1 Catalog No: AG00137A MDL No:MFCD09864575
Product Description
Catalog Number:
AG00137A
Chemical Name:
Acetic acid, 2-(2-propen-1-ylsulfinyl)-
CAS Number:
137375-86-1
Molecular Formula:
C5H8O3S
Molecular Weight:
148.1802
MDL Number:
MFCD09864575
IUPAC Name:
2-prop-2-enylsulfinylacetic acid
InChI:
InChI=1S/C5H8O3S/c1-2-3-9(8)4-5(6)7/h2H,1,3-4H2,(H,6,7)
InChI Key:
WKWMEMNYAAIKAV-UHFFFAOYSA-N
SMILES:
C=CCS(=O)CC(=O)O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.019g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.176g/mol
Monoisotopic Mass:
148.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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