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67254-83-5 | 4-(1-Methyl-2-nitro-1H-imidazol-5-yl)-3-buten-2-one
CAS No: 67254-83-5 Catalog No: AG00FYCA MDL No:
Product Description
Catalog Number:
AG00FYCA
Chemical Name:
4-(1-Methyl-2-nitro-1H-imidazol-5-yl)-3-buten-2-one
CAS Number:
67254-83-5
IUPAC Name:
(E)-4-(3-methyl-2-nitroimidazol-4-yl)but-3-en-2-one
InChI:
InChI=1S/C8H9N3O3/c1-6(12)3-4-7-5-9-8(10(7)2)11(13)14/h3-5H,1-2H3/b4-3+
InChI Key:
IOALFYAJCVAMHB-ONEGZZNKSA-N
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
195.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.178g/mol
Monoisotopic Mass:
195.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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