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88023-83-0 | Benzene, 1-methoxy-4-[[(methylthio)methoxy]methyl]-
CAS No: 88023-83-0 Catalog No: AG004N57 MDL No:
Product Description
Catalog Number:
AG004N57
Chemical Name:
Benzene, 1-methoxy-4-[[(methylthio)methoxy]methyl]-
CAS Number:
88023-83-0
Molecular Formula:
C10H14O2S
Molecular Weight:
198.2820
IUPAC Name:
1-methoxy-4-(methylsulfanylmethoxymethyl)benzene
InChI:
InChI=1S/C10H14O2S/c1-11-10-5-3-9(4-6-10)7-12-8-13-2/h3-6H,7-8H2,1-2H3
InChI Key:
BTOPAHVWGRYACX-UHFFFAOYSA-N
SMILES:
CSCOCc1ccc(cc1)OC
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:
0
Isotope Atom Count:
0
Molecular Weight:
198.28g/mol
Monoisotopic Mass:
198.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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