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149235-72-3 | Ethenesulfonic acid, 2-cyanoethyl ester
CAS No: 149235-72-3 Catalog No: AG001LI6 MDL No:
Product Description
Catalog Number:
AG001LI6
Chemical Name:
Ethenesulfonic acid, 2-cyanoethyl ester
CAS Number:
149235-72-3
Molecular Formula:
C5H7NO3S
Molecular Weight:
161.1790
IUPAC Name:
2-cyanoethyl ethenesulfonate
InChI:
InChI=1S/C5H7NO3S/c1-2-10(7,8)9-5-3-4-6/h2H,1,3,5H2
InChI Key:
HNCAELJDFYHXKZ-UHFFFAOYSA-N
SMILES:
C=CS(=O)(=O)OCCC#N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.175g/mol
Monoisotopic Mass:
161.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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