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19093-37-9 | Benzene, (2-propen-1-ylsulfinyl)-
CAS No: 19093-37-9 Catalog No: AG002EXM MDL No:MFCD00040897
Product Description
Catalog Number:
AG002EXM
Chemical Name:
Benzene, (2-propen-1-ylsulfinyl)-
CAS Number:
19093-37-9
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
MDL Number:
MFCD00040897
IUPAC Name:
prop-2-enylsulfinylbenzene
InChI:
InChI=1S/C9H10OS/c1-2-8-11(10)9-6-4-3-5-7-9/h2-7H,1,8H2
InChI Key:
RLLJHMBTZSGFAS-UHFFFAOYSA-N
SMILES:
C=CCS(=O)c1ccccc1
EC Number:
242-811-4
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.238g/mol
Monoisotopic Mass:
166.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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