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88576-53-8 | Benzene, 1-(2-butenylsulfonyl)-2-methoxy-
CAS No: 88576-53-8 Catalog No: AG004BUT MDL No:
Product Description
Catalog Number:
AG004BUT
Chemical Name:
Benzene, 1-(2-butenylsulfonyl)-2-methoxy-
CAS Number:
88576-53-8
Molecular Formula:
C11H14O3S
Molecular Weight:
226.2921
IUPAC Name:
1-but-2-enylsulfonyl-2-methoxybenzene
InChI:
InChI=1S/C11H14O3S/c1-3-4-9-15(12,13)11-8-6-5-7-10(11)14-2/h3-8H,9H2,1-2H3
InChI Key:
NNYBFMHTQGSXHF-UHFFFAOYSA-N
SMILES:
CC=CCS(=O)(=O)c1ccccc1OC
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.29g/mol
Monoisotopic Mass:
226.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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