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Home > Imidazoles > 72338-54-6
72338-54-6 | 1H-Imidazole-1-undecanoic acid, methyl ester
CAS No: 72338-54-6 Catalog No: AG005U7H MDL No:
Product Description
Catalog Number:
AG005U7H
Chemical Name:
1H-Imidazole-1-undecanoic acid, methyl ester
CAS Number:
72338-54-6
Molecular Formula:
C15H26N2O2
Molecular Weight:
266.3791
IUPAC Name:
methyl 11-imidazol-1-ylundecanoate
InChI:
InChI=1S/C15H26N2O2/c1-19-15(18)10-8-6-4-2-3-5-7-9-12-17-13-11-16-14-17/h11,13-14H,2-10,12H2,1H3
InChI Key:
NQVPUMGTZBFNTN-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCn1cncc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.199g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.385g/mol
Monoisotopic Mass:
266.199g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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