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88167-07-1 | 1,6-Hexanedione, 1,6-bis(4-butoxyphenyl)-
CAS No: 88167-07-1 Catalog No: AG004E0V MDL No:
Product Description
Catalog Number:
AG004E0V
Chemical Name:
1,6-Hexanedione, 1,6-bis(4-butoxyphenyl)-
CAS Number:
88167-07-1
Molecular Formula:
C26H34O4
Molecular Weight:
410.5458
IUPAC Name:
1,6-bis(4-butoxyphenyl)hexane-1,6-dione
InChI:
InChI=1S/C26H34O4/c1-3-5-19-29-23-15-11-21(12-16-23)25(27)9-7-8-10-26(28)22-13-17-24(18-14-22)30-20-6-4-2/h11-18H,3-10,19-20H2,1-2H3
InChI Key:
CVPNFLYEOOZNCS-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)CCCCC(=O)c1ccc(cc1)OCCCC
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.246g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.554g/mol
Monoisotopic Mass:
410.246g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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