Home Sulfos (2E)-3-(benzenesulfonyl)prop-2-enoic acid

(2E)-3-(benzenesulfonyl)prop-2-enoic acid

CAS No.:
711-29-5
Catalog Number:
AG019OO0
Molecular Formula:
C9H8O4S
Molecular Weight:
212.2224
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Product Description
Catalog Number:
AG019OO0
Chemical Name:
(2E)-3-(benzenesulfonyl)prop-2-enoic acid
CAS Number:
711-29-5
Molecular Formula:
C9H8O4S
Molecular Weight:
212.2224
IUPAC Name:
3-(benzenesulfonyl)prop-2-enoic acid
InChI:
InChI=1S/C9H8O4S/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h1-7H,(H,10,11)
InChI Key:
BJFWNTBQQWFCIK-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/S(=O)(=O)c1ccccc1
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.014g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.219g/mol
Monoisotopic Mass:
212.014g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.8  
Properties