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89267-91-4 | 1H-Pyrrole-1-carboxaldehyde, 2,5-dihydro-2-oxo-
CAS No: 89267-91-4 Catalog No: AG0087M4 MDL No:
Product Description
Catalog Number:
AG0087M4
Chemical Name:
1H-Pyrrole-1-carboxaldehyde, 2,5-dihydro-2-oxo-
CAS Number:
89267-91-4
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
IUPAC Name:
5-oxo-2H-pyrrole-1-carbaldehyde
InChI:
InChI=1S/C5H5NO2/c7-4-6-3-1-2-5(6)8/h1-2,4H,3H2
InChI Key:
VNULAQVHHKLMOK-UHFFFAOYSA-N
SMILES:
O=CN1CC=CC1=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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