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88356-92-7 | 2-Propanone, 1-[4-(methylthio)phenyl]-
CAS No: 88356-92-7 Catalog No: AG0046RQ MDL No:MFCD11553500
Product Description
Catalog Number:
AG0046RQ
Chemical Name:
2-Propanone, 1-[4-(methylthio)phenyl]-
CAS Number:
88356-92-7
Molecular Formula:
C10H12OS
Molecular Weight:
180.2667
MDL Number:
MFCD11553500
IUPAC Name:
1-(4-methylsulfanylphenyl)propan-2-one
InChI:
InChI=1S/C10H12OS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
InChI Key:
RYFZDEIJXAESAA-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)CC(=O)C
Properties
Complexity:
148
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:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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