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113853-99-9 | Benzene, [(2-methoxy-1-methylethenyl)sulfonyl]-
CAS No: 113853-99-9 Catalog No: AG0009XR MDL No:
Product Description
Catalog Number:
AG0009XR
Chemical Name:
Benzene, [(2-methoxy-1-methylethenyl)sulfonyl]-
CAS Number:
113853-99-9
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
IUPAC Name:
1-methoxyprop-1-en-2-ylsulfonylbenzene
InChI:
InChI=1S/C10H12O3S/c1-9(8-13-2)14(11,12)10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key:
AZSCMXNUHAQGFK-UHFFFAOYSA-N
SMILES:
COC=C(S(=O)(=O)c1ccccc1)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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