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811471-09-7 | 1H-Imidazole, 1-ethyl-, monoacetate
CAS No: 811471-09-7 Catalog No: AG004ZQL MDL No:
Product Description
Catalog Number:
AG004ZQL
Chemical Name:
1H-Imidazole, 1-ethyl-, monoacetate
CAS Number:
811471-09-7
Molecular Formula:
C7H12N2O2
Molecular Weight:
156.1824
IUPAC Name:
acetic acid;1-ethylimidazole
InChI:
InChI=1S/C5H8N2.C2H4O2/c1-2-7-4-3-6-5-7;1-2(3)4/h3-5H,2H2,1H3;1H3,(H,3,4)
InChI Key:
FSQZUOBIINOWOI-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCn1cncc1
Properties
Complexity:
85.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.185g/mol
Monoisotopic Mass:
156.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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