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89267-93-6 | 1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-5-oxo-
CAS No: 89267-93-6 Catalog No: AG0041JO MDL No:
Product Description
Catalog Number:
AG0041JO
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-5-oxo-
CAS Number:
89267-93-6
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
IUPAC Name:
5-oxo-1,2-dihydropyrrole-3-carbaldehyde
InChI:
InChI=1S/C5H5NO2/c7-3-4-1-5(8)6-2-4/h1,3H,2H2,(H,6,8)
InChI Key:
OBPVAXLFTJBOSB-UHFFFAOYSA-N
SMILES:
O=CC1=CC(=O)NC1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.1g/mol
Monoisotopic Mass:
111.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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