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20970-50-7 | Ethanone, 1-(1-methyl-1H-imidazol-5-yl)-
CAS No: 20970-50-7 Catalog No: AG002KDU MDL No:MFCD08668302
Product Description
Catalog Number:
AG002KDU
Chemical Name:
Ethanone, 1-(1-methyl-1H-imidazol-5-yl)-
CAS Number:
20970-50-7
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD08668302
IUPAC Name:
1-(3-methylimidazol-4-yl)ethanone
InChI:
InChI=1S/C6H8N2O/c1-5(9)6-3-7-4-8(6)2/h3-4H,1-2H3
InChI Key:
DARZKTBWZJGBSD-UHFFFAOYSA-N
SMILES:
CC(=O)c1cncn1C
Properties
Complexity:
124
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:
0
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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