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Home > Imidazoles > 838871-96-8
838871-96-8 | 1H-Imidazolium, 1-ethyl-3-methyl-, (2Z)-2-butenedioate (1:1)
CAS No: 838871-96-8 Catalog No: AG004VEH MDL No:
Product Description
Catalog Number:
AG004VEH
Chemical Name:
1H-Imidazolium, 1-ethyl-3-methyl-, (2Z)-2-butenedioate (1:1)
CAS Number:
838871-96-8
Molecular Formula:
C10H16N2O4
Molecular Weight:
228.2450
IUPAC Name:
1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium;4-hydroxy-4-oxobut-2-enoate
InChI:
InChI=1S/C6H12N2.C4H4O4/c1-3-8-5-4-7(2)6-8;5-3(6)1-2-4(7)8/h4-5H,3,6H2,1-2H3;1-2H,(H,5,6)(H,7,8)
InChI Key:
LUKYRGVFXTWSOI-UHFFFAOYSA-N
SMILES:
[O-]C(=O)/C=C\C(=O)O.CC[NH+]1C=CN(C1)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.248g/mol
Monoisotopic Mass:
228.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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