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1342664-82-7 | 5-(3-oxopiperazin-1-yl)thiophene-2-carbaldehyde
CAS No: 1342664-82-7 Catalog No: AG01C1W1 MDL No:MFCD20300191
Product Description
Catalog Number:
AG01C1W1
Chemical Name:
5-(3-oxopiperazin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1342664-82-7
Molecular Formula:
C9H10N2O2S
Molecular Weight:
210.2529
MDL Number:
MFCD20300191
IUPAC Name:
5-(3-oxopiperazin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C9H10N2O2S/c12-6-7-1-2-9(14-7)11-4-3-10-8(13)5-11/h1-2,6H,3-5H2,(H,10,13)
InChI Key:
STFCXTDKTLAWTE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)N1CCNC(=O)C1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.251g/mol
Monoisotopic Mass:
210.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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