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40736-25-2

40736-25-2 | 1H-Imidazole,1-(1-oxo-2-propenyl)-(9CI)

CAS No: 40736-25-2 Catalog No: AG00CXAO MDL No:

Product Description

Catalog Number:
AG00CXAO
Chemical Name:
1H-Imidazole,1-(1-oxo-2-propenyl)-(9CI)
CAS Number:
40736-25-2
IUPAC Name:
1-imidazol-1-ylprop-2-en-1-one
InChI:
InChI=1S/C6H6N2O/c1-2-6(9)8-4-3-7-5-8/h2-5H,1H2
InChI Key:
RIDVPVAOHVMBBM-UHFFFAOYSA-N

Properties

Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.127g/mol
Monoisotopic Mass:
122.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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