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138879-02-4 | 2,6-Nonadienoic acid, 8-oxo-, methyl ester, (2E,6E)-
CAS No: 138879-02-4 Catalog No: AG0019Q9 MDL No:
Product Description
Catalog Number:
AG0019Q9
Chemical Name:
2,6-Nonadienoic acid, 8-oxo-, methyl ester, (2E,6E)-
CAS Number:
138879-02-4
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
methyl 8-oxonona-2,6-dienoate
InChI:
InChI=1S/C10H14O3/c1-9(11)7-5-3-4-6-8-10(12)13-2/h5-8H,3-4H2,1-2H3
InChI Key:
GGOCMELELRCXSU-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/CC/C=C/C(=O)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.3
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