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Home > Aldehydes > 141620-22-6
141620-22-6 | 1H-Pyrrole-1-carboxaldehyde, 2,5-dihydro-2-hydroxy-5-oxo-
CAS No: 141620-22-6 Catalog No: AG001GOZ MDL No:
Product Description
Catalog Number:
AG001GOZ
Chemical Name:
1H-Pyrrole-1-carboxaldehyde, 2,5-dihydro-2-hydroxy-5-oxo-
CAS Number:
141620-22-6
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
IUPAC Name:
2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde
InChI:
InChI=1S/C5H5NO3/c7-3-6-4(8)1-2-5(6)9/h1-4,8H
InChI Key:
SEZWSESFAIHWTE-UHFFFAOYSA-N
SMILES:
O=CN1C(O)C=CC1=O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.099g/mol
Monoisotopic Mass:
127.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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