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14763-61-2 | Phenol, 3-(methylsulfonyl)-
CAS No: 14763-61-2 Catalog No: AG001F23 MDL No:MFCD11839805
Product Description
Catalog Number:
AG001F23
Chemical Name:
Phenol, 3-(methylsulfonyl)-
CAS Number:
14763-61-2
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
MDL Number:
MFCD11839805
IUPAC Name:
3-methylsulfonylphenol
InChI:
InChI=1S/C7H8O3S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5,8H,1H3
InChI Key:
MRZXZRGNTXHLKA-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)S(=O)(=O)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.198g/mol
Monoisotopic Mass:
172.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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