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144094-14-4 | Octadien-1-one, 1-(3,4-dihydroxyphenyl)- (9CI)
CAS No: 144094-14-4 Catalog No: AG001IW9 MDL No:
Product Description
Catalog Number:
AG001IW9
Chemical Name:
Octadien-1-one, 1-(3,4-dihydroxyphenyl)- (9CI)
CAS Number:
144094-14-4
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
1-(3,4-dihydroxyphenyl)octa-2,4-dien-1-one
InChI:
InChI=1S/C14H16O3/c1-2-3-4-5-6-7-12(15)11-8-9-13(16)14(17)10-11/h4-10,16-17H,2-3H2,1H3
InChI Key:
UQMBURUGYNVUPB-UHFFFAOYSA-N
SMILES:
CCCC=CC=CC(=O)c1ccc(c(c1)O)O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.3
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