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Home > Aldehydes > 1250736-42-5
1250736-42-5 | 4-(1-oxo-1lambda4-thiomorpholin-4-yl)benzaldehyde
CAS No: 1250736-42-5 Catalog No: AG01C8NE MDL No:MFCD14692036
Product Description
Catalog Number:
AG01C8NE
Chemical Name:
4-(1-oxo-1lambda4-thiomorpholin-4-yl)benzaldehyde
CAS Number:
1250736-42-5
Molecular Formula:
C11H13NO2S
Molecular Weight:
223.2914
MDL Number:
MFCD14692036
IUPAC Name:
4-(1-oxo-1,4-thiazinan-4-yl)benzaldehyde
InChI:
InChI=1S/C11H13NO2S/c13-9-10-1-3-11(4-2-10)12-5-7-15(14)8-6-12/h1-4,9H,5-8H2
InChI Key:
ZJCIZDPKWGFTKH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CCS(=O)CC1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.29g/mol
Monoisotopic Mass:
223.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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