Home Sulfos 2-(4-methanesulfonylphenyl)propanal

2-(4-methanesulfonylphenyl)propanal

CAS No.:
1482387-26-7
Catalog Number:
AG01C1C5
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
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Product Description
Catalog Number:
AG01C1C5
Chemical Name:
2-(4-methanesulfonylphenyl)propanal
CAS Number:
1482387-26-7
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
MDL Number:
MFCD21321778
IUPAC Name:
2-(4-methylsulfonylphenyl)propanal
InChI:
InChI=1S/C10H12O3S/c1-8(7-11)9-3-5-10(6-4-9)14(2,12)13/h3-8H,1-2H3
InChI Key:
AFSSQBUOSYCCOG-UHFFFAOYSA-N
SMILES:
O=CC(c1ccc(cc1)S(=O)(=O)C)C
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties