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88354-61-4 | 8,10-Undecadiene-3,7-dione, 4-hydroxy-6,6,10-trimethyl-, (E)-
CAS No: 88354-61-4 Catalog No: AG0046S6 MDL No:
Product Description
Catalog Number:
AG0046S6
Chemical Name:
8,10-Undecadiene-3,7-dione, 4-hydroxy-6,6,10-trimethyl-, (E)-
CAS Number:
88354-61-4
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
IUPAC Name:
4-hydroxy-6,6,10-trimethylundeca-8,10-diene-3,7-dione
InChI:
InChI=1S/C14H22O3/c1-6-11(15)12(16)9-14(4,5)13(17)8-7-10(2)3/h7-8,12,16H,2,6,9H2,1,3-5H3
InChI Key:
FACRIYKMTGSQNP-UHFFFAOYSA-N
SMILES:
CCC(=O)C(CC(C(=O)/C=C/C(=C)C)(C)C)O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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