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Home > Aldehydes > 156867-56-0
156867-56-0 | Benzaldehyde, 4-[(methylsulfonyl)methyl]-
CAS No: 156867-56-0 Catalog No: AG001P13 MDL No:MFCD21603748
Product Description
Catalog Number:
AG001P13
Chemical Name:
Benzaldehyde, 4-[(methylsulfonyl)methyl]-
CAS Number:
156867-56-0
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
MDL Number:
MFCD21603748
IUPAC Name:
4-(methylsulfonylmethyl)benzaldehyde
InChI:
InChI=1S/C9H10O3S/c1-13(11,12)7-9-4-2-8(6-10)3-5-9/h2-6H,7H2,1H3
InChI Key:
RUZRGRDECVOHGI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)CS(=O)(=O)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.236g/mol
Monoisotopic Mass:
198.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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