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138501-41-4 | Butanoic acid, 3-methyl-, 7,9,11,13-hexadecatetraen-1-yl ester
CAS No: 138501-41-4 Catalog No: AG0019BL MDL No:
Product Description
Catalog Number:
AG0019BL
Chemical Name:
Butanoic acid, 3-methyl-, 7,9,11,13-hexadecatetraen-1-yl ester
CAS Number:
138501-41-4
Molecular Formula:
C21H34O2
Molecular Weight:
318.4935
IUPAC Name:
hexadeca-7,9,11,13-tetraenyl 3-methylbutanoate
InChI:
InChI=1S/C21H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(22)19-20(2)3/h5-12,20H,4,13-19H2,1-3H3
InChI Key:
JNASXYOOYSKMLP-UHFFFAOYSA-N
SMILES:
CCC=CC=CC=CC=CCCCCCCOC(=O)CC(C)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.256g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.501g/mol
Monoisotopic Mass:
318.256g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
6.9
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