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Home > Imidazoles > 6293-52-3
6293-52-3 | imidazole-4-methanol monopicrate
CAS No: 6293-52-3 Catalog No: AG00EF7V MDL No:
Product Description
Catalog Number:
AG00EF7V
Chemical Name:
imidazole-4-methanol monopicrate
CAS Number:
6293-52-3
IUPAC Name:
1H-imidazol-5-ylmethanol;2,4,6-trinitrophenol
InChI:
InChI=1S/C6H3N3O7.C4H6N2O/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;7-2-4-1-5-3-6-4/h1-2,10H;1,3,7H,2H2,(H,5,6)
InChI Key:
ZSHKBAUJMQICOD-UHFFFAOYSA-N
EC Number:
228-553-5
NSC Number:
8959
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.045g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
327.209g/mol
Monoisotopic Mass:
327.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
207A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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