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16188-55-9 | Benzeneacetic acid, 4-(methylthio)-
CAS No: 16188-55-9 Catalog No: AG001VYF MDL No:MFCD00192325
Product Description
Catalog Number:
AG001VYF
Chemical Name:
Benzeneacetic acid, 4-(methylthio)-
CAS Number:
16188-55-9
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD00192325
IUPAC Name:
2-(4-methylsulfanylphenyl)acetic acid
InChI:
InChI=1S/C9H10O2S/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
AHMLFHMRRBJCRM-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)CC(=O)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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