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Home > Aldehydes > 1851852-75-9
1851852-75-9 | 4-(3-methyl-5-oxopiperazin-1-yl)thiophene-2-carbaldehyde
CAS No: 1851852-75-9 Catalog No: AG01C8VH MDL No:MFCD31443321
Product Description
Catalog Number:
AG01C8VH
Chemical Name:
4-(3-methyl-5-oxopiperazin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1851852-75-9
Molecular Formula:
C10H12N2O2S
Molecular Weight:
224.2795
MDL Number:
MFCD31443321
IUPAC Name:
4-(3-methyl-5-oxopiperazin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H12N2O2S/c1-7-3-12(4-10(14)11-7)8-2-9(5-13)15-6-8/h2,5-7H,3-4H2,1H3,(H,11,14)
InChI Key:
QRTMBZXIULDPLW-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)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:
1.1
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