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100515-17-1 | Benzene, 1-(dimethoxymethyl)-4-(methylthio)-
CAS No: 100515-17-1 Catalog No: AG00027O MDL No:
Product Description
Catalog Number:
AG00027O
Chemical Name:
Benzene, 1-(dimethoxymethyl)-4-(methylthio)-
CAS Number:
100515-17-1
Molecular Formula:
C10H14O2S
Molecular Weight:
198.2820
IUPAC Name:
1-(dimethoxymethyl)-4-methylsulfanylbenzene
InChI:
InChI=1S/C10H14O2S/c1-11-10(12-2)8-4-6-9(13-3)7-5-8/h4-7,10H,1-3H3
InChI Key:
MUEWUNUBHRREED-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)SC)OC
Properties
Complexity:
129
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:
4
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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