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89267-92-5 | 1H-Pyrrole-1-carboxaldehyde, 2,3-dihydro-2-oxo-
CAS No: 89267-92-5 Catalog No: AG0087M3 MDL No:MFCD28674835
Product Description
Catalog Number:
AG0087M3
Chemical Name:
1H-Pyrrole-1-carboxaldehyde, 2,3-dihydro-2-oxo-
CAS Number:
89267-92-5
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
MDL Number:
MFCD28674835
IUPAC Name:
2-oxo-3H-pyrrole-1-carbaldehyde
InChI:
InChI=1S/C5H5NO2/c7-4-6-3-1-2-5(6)8/h1,3-4H,2H2
InChI Key:
WOFCZROZBGMONT-UHFFFAOYSA-N
SMILES:
O=CN1C=CCC1=O
Properties
Complexity:
151
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:
0
Isotope Atom Count:
0
Molecular Weight:
111.1g/mol
Monoisotopic Mass:
111.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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