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102201-76-3 | Benzene, (3-buten-1-ylsulfinyl)-
CAS No: 102201-76-3 Catalog No: AG0006WZ MDL No:
Product Description
Catalog Number:
AG0006WZ
Chemical Name:
Benzene, (3-buten-1-ylsulfinyl)-
CAS Number:
102201-76-3
Molecular Formula:
C10H12OS
Molecular Weight:
180.2667
IUPAC Name:
but-3-enylsulfinylbenzene
InChI:
InChI=1S/C10H12OS/c1-2-3-9-12(11)10-7-5-4-6-8-10/h2,4-8H,1,3,9H2
InChI Key:
ZMYLJZXLHPOVJV-UHFFFAOYSA-N
SMILES:
C=CCCS(=O)c1ccccc1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.265g/mol
Monoisotopic Mass:
180.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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