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144689-93-0 | 1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-, ethyl ester
CAS No: 144689-93-0 Catalog No: AG001K0B MDL No:MFCD07787565
Product Description
Catalog Number:
AG001K0B
Chemical Name:
1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-, ethyl ester
CAS Number:
144689-93-0
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
MDL Number:
MFCD07787565
IUPAC Name:
ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C12H20N2O3/c1-5-7-8-13-9(11(15)17-6-2)10(14-8)12(3,4)16/h16H,5-7H2,1-4H3,(H,13,14)
InChI Key:
KZBJJAFGNMRRHN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(nc1C(O)(C)C)CCC
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| [A novel synthesis of olmesartan medoxomil and examination of its related impurities]. | Yao xue xue bao = Acta pharmaceutica Sinica 20060601 |
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