Home Other Building Blocks 3-METHOXYPHENYLMETHYLSULFOXIDE

3-METHOXYPHENYLMETHYLSULFOXIDE

CAS No.:
13150-72-6
Catalog Number:
AG01DV91
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
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Product Description
Catalog Number:
AG01DV91
Chemical Name:
3-METHOXYPHENYLMETHYLSULFOXIDE
CAS Number:
13150-72-6
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
MDL Number:
MFCD18785704
IUPAC Name:
1-methoxy-3-methylsulfinylbenzene
InChI:
InChI=1S/C8H10O2S/c1-10-7-4-3-5-8(6-7)11(2)9/h3-6H,1-2H3
InChI Key:
VTOBHSCIWASWJP-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)S(=O)C
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.226g/mol
Monoisotopic Mass:
170.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties