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13290-19-2 | Ethanol, 2-[(4-methoxyphenyl)thio]-
CAS No: 13290-19-2 Catalog No: AG0011CT MDL No:MFCD03231685
Product Description
Catalog Number:
AG0011CT
Chemical Name:
Ethanol, 2-[(4-methoxyphenyl)thio]-
CAS Number:
13290-19-2
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
MDL Number:
MFCD03231685
IUPAC Name:
2-(4-methoxyphenyl)sulfanylethanol
InChI:
InChI=1S/C9H12O2S/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-5,10H,6-7H2,1H3
InChI Key:
UUIPIUXSQULNPE-UHFFFAOYSA-N
SMILES:
OCCSc1ccc(cc1)OC
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.253g/mol
Monoisotopic Mass:
184.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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