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16736-97-3 | Benzenesulfonic acid, 4-ethenyl-, methyl ester
CAS No: 16736-97-3 Catalog No: AG001XCD MDL No:
Product Description
Catalog Number:
AG001XCD
Chemical Name:
Benzenesulfonic acid, 4-ethenyl-, methyl ester
CAS Number:
16736-97-3
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
IUPAC Name:
methyl 4-ethenylbenzenesulfonate
InChI:
InChI=1S/C9H10O3S/c1-3-8-4-6-9(7-5-8)13(10,11)12-2/h3-7H,1H2,2H3
InChI Key:
NHLDKDYUMJJCHD-UHFFFAOYSA-N
SMILES:
COS(=O)(=O)c1ccc(cc1)C=C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.236g/mol
Monoisotopic Mass:
198.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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