200,000+ products from a single source!
sales@angenechem.com
89267-94-7 | 1H-Pyrrole-3-carboxaldehyde, 4,5-dihydro-5-oxo-
CAS No: 89267-94-7 Catalog No: AG0041QC MDL No:
Product Description
Catalog Number:
AG0041QC
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 4,5-dihydro-5-oxo-
CAS Number:
89267-94-7
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
IUPAC Name:
2-oxo-1,3-dihydropyrrole-4-carbaldehyde
InChI:
InChI=1S/C5H5NO2/c7-3-4-1-5(8)6-2-4/h2-3H,1H2,(H,6,8)
InChI Key:
WXQKPXRJHKFZPM-UHFFFAOYSA-N
SMILES:
O=CC1=CNC(=O)C1
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.