Home Other Building Blocks 1-(1H-imidazol-4-yl)propan-1-one

1-(1H-imidazol-4-yl)propan-1-one

CAS No.:
304457-86-1
Catalog Number:
AG00BHB0
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
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Product Description
Catalog Number:
AG00BHB0
Chemical Name:
1-(1H-imidazol-4-yl)propan-1-one
CAS Number:
304457-86-1
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD19216577
IUPAC Name:
1-(1H-imidazol-5-yl)propan-1-one
InChI:
InChI=1S/C6H8N2O/c1-2-6(9)5-3-7-4-8-5/h3-4H,2H2,1H3,(H,7,8)
InChI Key:
KLQYXTXNODUHGR-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cnc[nH]1
Properties
Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties