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13865-50-4 | Benzene, [(methoxymethyl)thio]-
CAS No: 13865-50-4 Catalog No: AG0018YM MDL No:MFCD00008496
Product Description
Catalog Number:
AG0018YM
Chemical Name:
Benzene, [(methoxymethyl)thio]-
CAS Number:
13865-50-4
Molecular Formula:
C8H10OS
Molecular Weight:
154.2294
MDL Number:
MFCD00008496
IUPAC Name:
methoxymethylsulfanylbenzene
InChI:
InChI=1S/C8H10OS/c1-9-7-10-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key:
QPXQVNXSQCRWEV-UHFFFAOYSA-N
SMILES:
COCSc1ccccc1
Properties
Complexity:
79.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.227g/mol
Monoisotopic Mass:
154.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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