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Home > Aldehydes > 1690627-74-7
1690627-74-7 | 2-(3-oxopiperazin-1-yl)pyridine-3-carbaldehyde
CAS No: 1690627-74-7 Catalog No: AG01C8PO MDL No:MFCD31443198
Product Description
Catalog Number:
AG01C8PO
Chemical Name:
2-(3-oxopiperazin-1-yl)pyridine-3-carbaldehyde
CAS Number:
1690627-74-7
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
MDL Number:
MFCD31443198
IUPAC Name:
2-(3-oxopiperazin-1-yl)pyridine-3-carbaldehyde
InChI:
InChI=1S/C10H11N3O2/c14-7-8-2-1-3-12-10(8)13-5-4-11-9(15)6-13/h1-3,7H,4-6H2,(H,11,15)
InChI Key:
UMPCACVOUSFBFR-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1N1CCNC(=O)C1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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