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127702-55-0 | 5-(1-METHYL-1H-IMIDAZOL-2-YL)FURAN-2-CARBALDEHYDE
CAS No: 127702-55-0 Catalog No: AG01CA1Y MDL No:MFCD24677015
Product Description
Catalog Number:
AG01CA1Y
Chemical Name:
5-(1-METHYL-1H-IMIDAZOL-2-YL)FURAN-2-CARBALDEHYDE
CAS Number:
127702-55-0
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD24677015
IUPAC Name:
5-(1-methylimidazol-2-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C9H8N2O2/c1-11-5-4-10-9(11)8-3-2-7(6-12)13-8/h2-6H,1H3
InChI Key:
OXNISHLOYZMIGL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)c1nccn1C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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