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114440-63-0 | 1-Propenesulfonic acid
CAS No: 114440-63-0 Catalog No: AG000EDQ MDL No:
Product Description
Catalog Number:
AG000EDQ
Chemical Name:
1-Propenesulfonic acid
CAS Number:
114440-63-0
Molecular Formula:
C3H6O3S
Molecular Weight:
122.1429
IUPAC Name:
prop-1-ene-1-sulfonic acid
InChI:
InChI=1S/C3H6O3S/c1-2-3-7(4,5)6/h2-3H,1H3,(H,4,5,6)
InChI Key:
RAJUSMULYYBNSJ-UHFFFAOYSA-N
SMILES:
CC=CS(=O)(=O)O
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.004g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
122.138g/mol
Monoisotopic Mass:
122.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.2
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