Home Aldehydes p-(methylsulphinyl)benzaldehyde

p-(methylsulphinyl)benzaldehyde

CAS No.:
37794-15-3
Catalog Number:
AG00CHBH
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
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Product Description
Catalog Number:
AG00CHBH
Chemical Name:
p-(methylsulphinyl)benzaldehyde
CAS Number:
37794-15-3
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
MDL Number:
MFCD18253462
IUPAC Name:
4-methylsulfinylbenzaldehyde
InChI:
InChI=1S/C8H8O2S/c1-11(10)8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChI Key:
NZJSGBXNOJOCJI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)S(=O)C
EC Number:
253-669-8
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.21g/mol
Monoisotopic Mass:
168.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties