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137375-80-5 | Acetic acid, 2-(propylsulfinyl)-
CAS No: 137375-80-5 Catalog No: AG00137D MDL No:MFCD10686566
Product Description
Catalog Number:
AG00137D
Chemical Name:
Acetic acid, 2-(propylsulfinyl)-
CAS Number:
137375-80-5
Molecular Formula:
C5H10O3S
Molecular Weight:
150.1961
MDL Number:
MFCD10686566
IUPAC Name:
2-propylsulfinylacetic acid
InChI:
InChI=1S/C5H10O3S/c1-2-3-9(8)4-5(6)7/h2-4H2,1H3,(H,6,7)
InChI Key:
OLRNKYQPICWEGH-UHFFFAOYSA-N
SMILES:
CCCS(=O)CC(=O)O
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.192g/mol
Monoisotopic Mass:
150.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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