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102606-93-9 | Benzenemethanol, 4-(methylthio)-, 1-acetate
CAS No: 102606-93-9 Catalog No: AG0007WL MDL No:
Product Description
Catalog Number:
AG0007WL
Chemical Name:
Benzenemethanol, 4-(methylthio)-, 1-acetate
CAS Number:
102606-93-9
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
IUPAC Name:
acetic acid;(4-methylsulfanylphenyl)methanol
InChI:
InChI=1S/C8H10OS.C2H4O2/c1-10-8-4-2-7(6-9)3-5-8;1-2(3)4/h2-5,9H,6H2,1H3;1H3,(H,3,4)
InChI Key:
UYNHNFMXBYVGQL-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)COC(=O)C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.279g/mol
Monoisotopic Mass:
214.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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