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89686-39-5 | 1H-Pyrrole-3-carboxaldehyde, 5-hydroxy-
CAS No: 89686-39-5 Catalog No: AG0088DX MDL No:
Product Description
Catalog Number:
AG0088DX
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 5-hydroxy-
CAS Number:
89686-39-5
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
IUPAC Name:
5-hydroxy-1H-pyrrole-3-carbaldehyde
InChI:
InChI=1S/C5H5NO2/c7-3-4-1-5(8)6-2-4/h1-3,6,8H
InChI Key:
PYXIYFMSTQXYOD-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c(c1)O
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:
2
Isotope Atom Count:
0
Molecular Weight:
111.1g/mol
Monoisotopic Mass:
111.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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