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Home > Aldehydes > 1867014-50-3
1867014-50-3 | 5-(3-methyl-5-oxopiperazin-1-yl)thiophene-2-carbaldehyde
CAS No: 1867014-50-3 Catalog No: AG01C8VG MDL No:MFCD31443320
Product Description
Catalog Number:
AG01C8VG
Chemical Name:
5-(3-methyl-5-oxopiperazin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1867014-50-3
Molecular Formula:
C10H12N2O2S
Molecular Weight:
224.2795
MDL Number:
MFCD31443320
IUPAC Name:
5-(3-methyl-5-oxopiperazin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H12N2O2S/c1-7-4-12(5-9(14)11-7)10-3-2-8(6-13)15-10/h2-3,6-7H,4-5H2,1H3,(H,11,14)
InChI Key:
ITKPYLZNHUZVRM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)N1CC(C)NC(=O)C1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.278g/mol
Monoisotopic Mass:
224.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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