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88045-72-1 | Benzenemethanol, 4-[[(methylthio)methoxy]methyl]-
CAS No: 88045-72-1 Catalog No: AG004IXS MDL No:
Product Description
Catalog Number:
AG004IXS
Chemical Name:
Benzenemethanol, 4-[[(methylthio)methoxy]methyl]-
CAS Number:
88045-72-1
Molecular Formula:
C10H14O2S
Molecular Weight:
198.2820
IUPAC Name:
[4-(methylsulfanylmethoxymethyl)phenyl]methanol
InChI:
InChI=1S/C10H14O2S/c1-13-8-12-7-10-4-2-9(6-11)3-5-10/h2-5,11H,6-8H2,1H3
InChI Key:
RSEGQFJHLGTSKG-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)COCSC
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.28g/mol
Monoisotopic Mass:
198.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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