Home Nitriles 4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonitrile

4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonitrile

CAS No.:
29418-72-2
Catalog Number:
AG01A6U3
Molecular Formula:
C5H4N2O2
Molecular Weight:
124.0975
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Product Description
Catalog Number:
AG01A6U3
Chemical Name:
4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonitrile
CAS Number:
29418-72-2
Molecular Formula:
C5H4N2O2
Molecular Weight:
124.0975
MDL Number:
MFCD19221253
IUPAC Name:
4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carbonitrile
InChI:
InChI=1S/C5H4N2O2/c6-1-3-2-7-5(9)4(3)8/h8H,2H2,(H,7,9)
InChI Key:
JMSMUOSHTBKTSF-UHFFFAOYSA-N
SMILES:
N#CC1=C(O)C(=O)NC1
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.027g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
124.099g/mol
Monoisotopic Mass:
124.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties