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Home > Imidazoles > 85216-65-5
85216-65-5 | 1H-Imidazole-1-undecanoic acid, 2-methyl-, methyl ester
CAS No: 85216-65-5 Catalog No: AG004MFP MDL No:
Product Description
Catalog Number:
AG004MFP
Chemical Name:
1H-Imidazole-1-undecanoic acid, 2-methyl-, methyl ester
CAS Number:
85216-65-5
Molecular Formula:
C16H28N2O2
Molecular Weight:
280.4057
IUPAC Name:
methyl 11-(2-methylimidazol-1-yl)undecanoate
InChI:
InChI=1S/C16H28N2O2/c1-15-17-12-14-18(15)13-10-8-6-4-3-5-7-9-11-16(19)20-2/h12,14H,3-11,13H2,1-2H3
InChI Key:
TWEGWEVVEWUYQA-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCn1ccnc1C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.215g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.412g/mol
Monoisotopic Mass:
280.215g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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