Home Aldehydes 5-(Hydroxymethyl)-1H-pyrrole-2-carbaldehyde

5-(Hydroxymethyl)-1H-pyrrole-2-carbaldehyde

CAS No.:
67350-50-9
Catalog Number:
AG006HSM
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
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Product Description
Catalog Number:
AG006HSM
Chemical Name:
5-(Hydroxymethyl)-1H-pyrrole-2-carbaldehyde
CAS Number:
67350-50-9
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD18810197
IUPAC Name:
5-(hydroxymethyl)-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C6H7NO2/c8-3-5-1-2-6(4-9)7-5/h1-3,7,9H,4H2
InChI Key:
SRPREECLSOIPNK-UHFFFAOYSA-N
SMILES:
OCc1ccc([nH]1)C=O
Properties
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
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