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88091-38-7 | 1H-Imidazole-4-carboxaldehyde, 1-(2-propenyl)-
CAS No: 88091-38-7 Catalog No: AG004J6D MDL No:
Product Description
Catalog Number:
AG004J6D
Chemical Name:
1H-Imidazole-4-carboxaldehyde, 1-(2-propenyl)-
CAS Number:
88091-38-7
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
IUPAC Name:
1-prop-2-enylimidazole-4-carbaldehyde
InChI:
InChI=1S/C7H8N2O/c1-2-3-9-4-7(5-10)8-6-9/h2,4-6H,1,3H2
InChI Key:
JTHDSQTVTRRLSJ-UHFFFAOYSA-N
SMILES:
C=CCn1cnc(c1)C=O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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