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125699-33-4 | 1-Tetradecene-3,5-dione, 1-(3,4-dihydroxyphenyl)-
CAS No: 125699-33-4 Catalog No: AG000OI4 MDL No:
Product Description
Catalog Number:
AG000OI4
Chemical Name:
1-Tetradecene-3,5-dione, 1-(3,4-dihydroxyphenyl)-
CAS Number:
125699-33-4
Molecular Formula:
C20H28O4
Molecular Weight:
332.4339
IUPAC Name:
1-(3,4-dihydroxyphenyl)tetradec-1-ene-3,5-dione
InChI:
InChI=1S/C20H28O4/c1-2-3-4-5-6-7-8-9-17(21)15-18(22)12-10-16-11-13-19(23)20(24)14-16/h10-14,23-24H,2-9,15H2,1H3
InChI Key:
LDNGJHRRYHQQEM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)CC(=O)C=Cc1ccc(c(c1)O)O
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.199g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.44g/mol
Monoisotopic Mass:
332.199g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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