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850415-53-1 | Benzene, [1-[(methylsulfinyl)methyl]ethenyl]-
CAS No: 850415-53-1 Catalog No: AG004SUU MDL No:
Product Description
Catalog Number:
AG004SUU
Chemical Name:
Benzene, [1-[(methylsulfinyl)methyl]ethenyl]-
CAS Number:
850415-53-1
Molecular Formula:
C10H12OS
Molecular Weight:
180.2667
IUPAC Name:
3-methylsulfinylprop-1-en-2-ylbenzene
InChI:
InChI=1S/C10H12OS/c1-9(8-12(2)11)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChI Key:
DFZGYLRHISVANA-UHFFFAOYSA-N
SMILES:
C=C(c1ccccc1)CS(=O)C
Properties
Complexity:
180
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:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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