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76859-13-7 | 2-Furanundecanoic acid, 3-methyl-5-pentyl-, ethyl ester
CAS No: 76859-13-7 Catalog No: AG005HJB MDL No:
Product Description
Catalog Number:
AG005HJB
Chemical Name:
2-Furanundecanoic acid, 3-methyl-5-pentyl-, ethyl ester
CAS Number:
76859-13-7
Molecular Formula:
C23H40O3
Molecular Weight:
364.5619
IUPAC Name:
ethyl 11-(3-methyl-5-pentylfuran-2-yl)undecanoate
InChI:
InChI=1S/C23H40O3/c1-4-6-13-16-21-19-20(3)22(26-21)17-14-11-9-7-8-10-12-15-18-23(24)25-5-2/h19H,4-18H2,1-3H3
InChI Key:
COMUHRXMGOHECM-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(c(o1)CCCCCCCCCCC(=O)OCC)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.298g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.57g/mol
Monoisotopic Mass:
364.298g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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