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87711-96-4 | 2-Propen-1-one, 2-methyl-3-(methylthio)-1-phenyl-
CAS No: 87711-96-4 Catalog No: AG004JMN MDL No:
Product Description
Catalog Number:
AG004JMN
Chemical Name:
2-Propen-1-one, 2-methyl-3-(methylthio)-1-phenyl-
CAS Number:
87711-96-4
Molecular Formula:
C11H12OS
Molecular Weight:
192.2774
IUPAC Name:
2-methyl-3-methylsulfanyl-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C11H12OS/c1-9(8-13-2)11(12)10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key:
VRDLWLNAIWFVBH-UHFFFAOYSA-N
SMILES:
CSC=C(C(=O)c1ccccc1)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.276g/mol
Monoisotopic Mass:
192.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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