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43114-43-8 | 3-(Methylsulfonyl)benzaldehyde
CAS No: 43114-43-8 Catalog No: AG003I8W MDL No:MFCD11052329
Product Description
Catalog Number:
AG003I8W
Chemical Name:
3-(Methylsulfonyl)benzaldehyde
CAS Number:
43114-43-8
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
MDL Number:
MFCD11052329
IUPAC Name:
3-methylsulfonylbenzaldehyde
InChI:
InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-6H,1H3
InChI Key:
OVSMURBVBQUOSF-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)S(=O)(=O)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.209g/mol
Monoisotopic Mass:
184.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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