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1567069-23-1 | 4-(4-METHYL-3-OXOPIPERAZIN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS No: 1567069-23-1 Catalog No: AG01C8PD MDL No:MFCD26866513
Product Description
Catalog Number:
AG01C8PD
Chemical Name:
4-(4-METHYL-3-OXOPIPERAZIN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS Number:
1567069-23-1
Molecular Formula:
C10H12N2O2S
Molecular Weight:
224.2795
MDL Number:
MFCD26866513
IUPAC Name:
4-(4-methyl-3-oxopiperazin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H12N2O2S/c1-11-2-3-12(5-10(11)14)8-4-9(6-13)15-7-8/h4,6-7H,2-3,5H2,1H3
InChI Key:
HZFKKKVSYIRYHL-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)N1CCN(C(=O)C1)C
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:
0
Isotope Atom Count:
0
Molecular Weight:
224.278g/mol
Monoisotopic Mass:
224.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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