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17622-86-5 | Benzoic acid, 4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)-
CAS No: 17622-86-5 Catalog No: AG0024II MDL No:MFCD17214928
Product Description
Catalog Number:
AG0024II
Chemical Name:
Benzoic acid, 4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)-
CAS Number:
17622-86-5
Molecular Formula:
C17H22O3
Molecular Weight:
274.3548
MDL Number:
MFCD17214928
IUPAC Name:
4-hydroxy-3,5-bis(3-methylbut-2-enyl)benzoic acid
InChI:
InChI=1S/C17H22O3/c1-11(2)5-7-13-9-15(17(19)20)10-14(16(13)18)8-6-12(3)4/h5-6,9-10,18H,7-8H2,1-4H3,(H,19,20)
InChI Key:
LSVOBJIOONAGLU-UHFFFAOYSA-N
SMILES:
CC(=CCc1cc(cc(c1O)CC=C(C)C)C(=O)O)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.157g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.36g/mol
Monoisotopic Mass:
274.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Dihydrochalcones and benzoic acid derivatives from Piper dennisii. | Planta medica 20120601 |
| Benzoic acid derivatives from Piper species and their antiparasitic activity. | Journal of natural products 20080901 |
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