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89388-08-9 | 1H-Imidazole-1-undecanoic acid, 2-methyl-, ethyl ester
CAS No: 89388-08-9 Catalog No: AG003WBJ MDL No:
Product Description
Catalog Number:
AG003WBJ
Chemical Name:
1H-Imidazole-1-undecanoic acid, 2-methyl-, ethyl ester
CAS Number:
89388-08-9
Molecular Formula:
C17H30N2O2
Molecular Weight:
294.4323
IUPAC Name:
ethyl 11-(2-methylimidazol-1-yl)undecanoate
InChI:
InChI=1S/C17H30N2O2/c1-3-21-17(20)12-10-8-6-4-5-7-9-11-14-19-15-13-18-16(19)2/h13,15H,3-12,14H2,1-2H3
InChI Key:
LCNDMIYZIAOVAI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCCCCCn1ccnc1C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.231g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.439g/mol
Monoisotopic Mass:
294.231g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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