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89686-38-4 | 1H-Pyrrole-1-carboxaldehyde, 2-hydroxy-
CAS No: 89686-38-4 Catalog No: AG00439L MDL No:
Product Description
Catalog Number:
AG00439L
Chemical Name:
1H-Pyrrole-1-carboxaldehyde, 2-hydroxy-
CAS Number:
89686-38-4
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
IUPAC Name:
2-hydroxypyrrole-1-carbaldehyde
InChI:
InChI=1S/C5H5NO2/c7-4-6-3-1-2-5(6)8/h1-4,8H
InChI Key:
MPJWQDLAZFPIEH-UHFFFAOYSA-N
SMILES:
O=Cn1cccc1O
Properties
Complexity:
94.4
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:
0
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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