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155051-85-7 | Benzoic acid, 4-hydroxy-3-(3-methyl-2-buten-1-yl)-5-(3-methyl-1-oxo-2-buten-1-yl)-
CAS No: 155051-85-7 Catalog No: AG001NKT MDL No:MFCD17168564
Product Description
Catalog Number:
AG001NKT
Chemical Name:
Benzoic acid, 4-hydroxy-3-(3-methyl-2-buten-1-yl)-5-(3-methyl-1-oxo-2-buten-1-yl)-
CAS Number:
155051-85-7
Molecular Formula:
C17H20O4
Molecular Weight:
288.3383
MDL Number:
MFCD17168564
IUPAC Name:
4-hydroxy-3-(3-methylbut-2-enoyl)-5-(3-methylbut-2-enyl)benzoic acid
InChI:
InChI=1S/C17H20O4/c1-10(2)5-6-12-8-13(17(20)21)9-14(16(12)19)15(18)7-11(3)4/h5,7-9,19H,6H2,1-4H3,(H,20,21)
InChI Key:
MRQCEQPYILVFQS-UHFFFAOYSA-N
SMILES:
CC(=CCc1cc(cc(c1O)C(=O)C=C(C)C)C(=O)O)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.136g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.343g/mol
Monoisotopic Mass:
288.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Dihydrochalcones and benzoic acid derivatives from Piper dennisii. | Planta medica 20120601 |
| Antiparasitic activity of prenylated benzoic acid derivatives from Piper species. | Phytochemistry 20090301 |
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