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Home > Imidazoles > 530-62-1
530-62-1 | 1,1‘-Carbonyldiimidazole
CAS No: 530-62-1 Catalog No: AG0032JR MDL No:MFCD00005286
Product Description
Catalog Number:
AG0032JR
Chemical Name:
1,1‘-Carbonyldiimidazole
CAS Number:
530-62-1
Molecular Formula:
C7H6N4O
Molecular Weight:
162.1487
MDL Number:
MFCD00005286
IUPAC Name:
di(imidazol-1-yl)methanone
InChI:
InChI=1S/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H
InChI Key:
PFKFTWBEEFSNDU-UHFFFAOYSA-N
SMILES:
O=C(n1cncc1)n1cncc1
EC Number:
208-488-9
UNII:
63A10X1FSP
NSC Number:
67203
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.152g/mol
Monoisotopic Mass:
162.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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