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116627-49-7 | 2-Furanundecanoic acid, 3-methyl-5-propyl-
CAS No: 116627-49-7 Catalog No: AG000CW8 MDL No:
Product Description
Catalog Number:
AG000CW8
Chemical Name:
2-Furanundecanoic acid, 3-methyl-5-propyl-
CAS Number:
116627-49-7
Molecular Formula:
C19H32O3
Molecular Weight:
308.4556
IUPAC Name:
11-(3-methyl-5-propylfuran-2-yl)undecanoic acid
InChI:
InChI=1S/C19H32O3/c1-3-12-17-15-16(2)18(22-17)13-10-8-6-4-5-7-9-11-14-19(20)21/h15H,3-14H2,1-2H3,(H,20,21)
InChI Key:
XZOBJEOEOJXQBF-UHFFFAOYSA-N
SMILES:
CCCc1cc(c(o1)CCCCCCCCCCC(=O)O)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.235g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.462g/mol
Monoisotopic Mass:
308.235g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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