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820208-09-1 | 2-Propenoic acid, compd. with 1-ethyl-1H-imidazole (1:1)
CAS No: 820208-09-1 Catalog No: AG0053QX MDL No:
Product Description
Catalog Number:
AG0053QX
Chemical Name:
2-Propenoic acid, compd. with 1-ethyl-1H-imidazole (1:1)
CAS Number:
820208-09-1
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
IUPAC Name:
1-ethylimidazole;prop-2-enoic acid
InChI:
InChI=1S/C5H8N2.C3H4O2/c1-2-7-4-3-6-5-7;1-2-3(4)5/h3-5H,2H2,1H3;2H,1H2,(H,4,5)
InChI Key:
VKIQGXRTFFVJEA-UHFFFAOYSA-N
SMILES:
CCn1cncc1.C=CC(=O)O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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