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85109-99-5 | Methyl 5-(diethoxymethyl);-1H-imidazole-4-carboxylate
CAS No: 85109-99-5 Catalog No: AG004OIS MDL No:
Product Description
Catalog Number:
AG004OIS
Chemical Name:
Methyl 5-(diethoxymethyl);-1H-imidazole-4-carboxylate
CAS Number:
85109-99-5
Molecular Formula:
C10H16N2O4
Molecular Weight:
228.2450
IUPAC Name:
methyl 5-(diethoxymethyl)-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C10H16N2O4/c1-4-15-10(16-5-2)8-7(9(13)14-3)11-6-12-8/h6,10H,4-5H2,1-3H3,(H,11,12)
InChI Key:
JUOJAAHYRVLTCC-UHFFFAOYSA-N
SMILES:
CCOC(c1[nH]cnc1C(=O)OC)OCC
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
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:
1
Isotope Atom Count:
0
Molecular Weight:
228.248g/mol
Monoisotopic Mass:
228.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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