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86303-90-4 | but-2-enedioic acid; 1-ethenylimidazole
CAS No: 86303-90-4 Catalog No: AG004RIY MDL No:
Product Description
Catalog Number:
AG004RIY
Chemical Name:
but-2-enedioic acid; 1-ethenylimidazole
CAS Number:
86303-90-4
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
IUPAC Name:
but-2-enedioic acid;1-ethenylimidazole
InChI:
InChI=1S/C5H6N2.C4H4O4/c1-2-7-4-3-6-5-7;5-3(6)1-2-4(7)8/h2-5H,1H2;1-2H,(H,5,6)(H,7,8)
InChI Key:
NNGCXQBPLUHZIG-UHFFFAOYSA-N
SMILES:
OC(=O)C=CC(=O)O.C=Cn1cncc1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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