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141811-44-1 | Acetic acid, 2-(ethylsulfonyl)-
CAS No: 141811-44-1 Catalog No: AG001H8G MDL No:MFCD09864550
Product Description
Catalog Number:
AG001H8G
Chemical Name:
Acetic acid, 2-(ethylsulfonyl)-
CAS Number:
141811-44-1
Molecular Formula:
C4H8O4S
Molecular Weight:
152.1689
MDL Number:
MFCD09864550
IUPAC Name:
2-ethylsulfonylacetic acid
InChI:
InChI=1S/C4H8O4S/c1-2-9(7,8)3-4(5)6/h2-3H2,1H3,(H,5,6)
InChI Key:
XTKCDFOXCDJUGE-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)CC(=O)O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.014g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.164g/mol
Monoisotopic Mass:
152.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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