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Home > Aldehydes > 1197193-23-9
1197193-23-9 | Benzaldehyde, 3-(methylsulfonyl)-4-(4-morpholinyl)-
CAS No: 1197193-23-9 Catalog No: AG000PIT MDL No:MFCD13191602
Product Description
Catalog Number:
AG000PIT
Chemical Name:
Benzaldehyde, 3-(methylsulfonyl)-4-(4-morpholinyl)-
CAS Number:
1197193-23-9
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
MDL Number:
MFCD13191602
IUPAC Name:
3-methylsulfonyl-4-morpholin-4-ylbenzaldehyde
InChI:
InChI=1S/C12H15NO4S/c1-18(15,16)12-8-10(9-14)2-3-11(12)13-4-6-17-7-5-13/h2-3,8-9H,4-7H2,1H3
InChI Key:
JKZKGXSAODKIFG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)S(=O)(=O)C)N1CCOCC1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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