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1001-20-3 | 2,4,6-Octatrienoicacid, 2,6-dimethyl-8-oxo-, ethyl ester
CAS No: 1001-20-3 Catalog No: AG0000XD MDL No:
Product Description
Catalog Number:
AG0000XD
Chemical Name:
2,4,6-Octatrienoicacid, 2,6-dimethyl-8-oxo-, ethyl ester
CAS Number:
1001-20-3
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
ethyl 2,6-dimethyl-8-oxoocta-2,4,6-trienoate
InChI:
InChI=1S/C12H16O3/c1-4-15-12(14)11(3)7-5-6-10(2)8-9-13/h5-9H,4H2,1-3H3
InChI Key:
CHXIVYSBDSAATQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CC=CC(=CC=O)C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
2.5
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