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144605-64-1 | 2,3,7-Nonatrienedioic acid, 2-butyl-, 9-ethyl 1-methyl ester
CAS No: 144605-64-1 Catalog No: AG001JU3 MDL No:
Product Description
Catalog Number:
AG001JU3
Chemical Name:
2,3,7-Nonatrienedioic acid, 2-butyl-, 9-ethyl 1-methyl ester
CAS Number:
144605-64-1
Molecular Formula:
C16H24O4
Molecular Weight:
280.3594
IUPAC Name:
9-O-ethyl 1-O-methyl 2-butylnona-2,3,7-trienedioate
InChI:
InChI=1S/C16H24O4/c1-4-6-11-14(16(18)19-3)12-9-7-8-10-13-15(17)20-5-2/h9-10,13H,4-8,11H2,1-3H3
InChI Key:
VQFFYEYZGMSVLE-UHFFFAOYSA-N
SMILES:
CCCCC(=C=CCCC=CC(=O)OCC)C(=O)OC
Properties
Complexity:
387
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.167g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.364g/mol
Monoisotopic Mass:
280.167g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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