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Home > Aldehydes > 133531-41-6
133531-41-6 | 5-(1H-Imidazol-1-yl)-2-furaldehyde
CAS No: 133531-41-6 Catalog No: AG01FE4S MDL No:
Product Description
Catalog Number:
AG01FE4S
Chemical Name:
5-(1H-Imidazol-1-yl)-2-furaldehyde
CAS Number:
133531-41-6
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
IUPAC Name:
5-imidazol-1-ylfuran-2-carbaldehyde
InChI:
InChI=1S/C8H6N2O2/c11-5-7-1-2-8(12-7)10-4-3-9-6-10/h1-6H
InChI Key:
AVOYIZZXSSSEGH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)n1cncc1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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