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19794-52-6 | Propanoic acid, 3-(sulfooxy)-
CAS No: 19794-52-6 Catalog No: AG002B6Y MDL No:MFCD20655841
Product Description
Catalog Number:
AG002B6Y
Chemical Name:
Propanoic acid, 3-(sulfooxy)-
CAS Number:
19794-52-6
Molecular Formula:
C3H6O6S
Molecular Weight:
170.1411
MDL Number:
MFCD20655841
IUPAC Name:
3-sulfooxypropanoic acid
InChI:
InChI=1S/C3H6O6S/c4-3(5)1-2-9-10(6,7)8/h1-2H2,(H,4,5)(H,6,7,8)
InChI Key:
MRAOXOHOWYJBPQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCOS(=O)(=O)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.989g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.135g/mol
Monoisotopic Mass:
169.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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