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100667-52-5 | 4-Hepten-3-one, 7-(4-hydroxyphenyl)-1-phenyl-, (4E)-
CAS No: 100667-52-5 Catalog No: AG0002LG MDL No:
Product Description
Catalog Number:
AG0002LG
Chemical Name:
4-Hepten-3-one, 7-(4-hydroxyphenyl)-1-phenyl-, (4E)-
CAS Number:
100667-52-5
Molecular Formula:
C19H20O2
Molecular Weight:
280.3609
IUPAC Name:
7-(4-hydroxyphenyl)-1-phenylhept-4-en-3-one
InChI:
InChI=1S/C19H20O2/c20-18(13-10-16-6-2-1-3-7-16)9-5-4-8-17-11-14-19(21)15-12-17/h1-3,5-7,9,11-12,14-15,21H,4,8,10,13H2
InChI Key:
VPCHZECKYCDVSA-UHFFFAOYSA-N
SMILES:
O=C(CCc1ccccc1)/C=C/CCc1ccc(cc1)O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.146g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.367g/mol
Monoisotopic Mass:
280.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Determination of diarylheptanoids from Alpinia officinarum (Lesser Galangal) by HPLC with photodiode array and electrochemical detection. | Phytochemical analysis : PCA 20050101 |
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