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Home > Aldehydes > 1565590-01-3
1565590-01-3 | 4-(2-METHYL-1,4-OXAZEPAN-4-YL)THIOPHENE-2-CARBALDEHYDE
CAS No: 1565590-01-3 Catalog No: AG01C8RC MDL No:MFCD26866470
Product Description
Catalog Number:
AG01C8RC
Chemical Name:
4-(2-METHYL-1,4-OXAZEPAN-4-YL)THIOPHENE-2-CARBALDEHYDE
CAS Number:
1565590-01-3
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD26866470
IUPAC Name:
4-(2-methyl-1,4-oxazepan-4-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H15NO2S/c1-9-6-12(3-2-4-14-9)10-5-11(7-13)15-8-10/h5,7-9H,2-4,6H2,1H3
InChI Key:
PNKDWTMIFYQNHX-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)N1CCCOC(C1)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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