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782420-08-0 | 1H-Imidazole-2-ethanimidicacid, ethyl ester
CAS No: 782420-08-0 Catalog No: AG005NIH MDL No:
Product Description
Catalog Number:
AG005NIH
Chemical Name:
1H-Imidazole-2-ethanimidicacid, ethyl ester
CAS Number:
782420-08-0
Molecular Formula:
C7H11N3O
Molecular Weight:
153.1817
IUPAC Name:
ethyl 2-(1H-imidazol-2-yl)ethanimidate
InChI:
InChI=1S/C7H11N3O/c1-2-11-6(8)5-7-9-3-4-10-7/h3-4,8H,2,5H2,1H3,(H,9,10)
InChI Key:
CMGKKBIPOFIMDC-UHFFFAOYSA-N
SMILES:
CCOC(=N)Cc1ncc[nH]1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.185g/mol
Monoisotopic Mass:
153.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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