Cas no 76261-14-8 (2-Hydroxy-6-pentadec-8-enyl-benzoesaeure)
76261-14-8 structure
Product Name:2-Hydroxy-6-pentadec-8-enyl-benzoesaeure
CAS No:76261-14-8
MF:C22H34O3
MW:346.503567218781
CID:2058192
PubChem ID:368156
Update Time:2025-04-21
2-Hydroxy-6-pentadec-8-enyl-benzoesaeure Chemical and Physical Properties
Names and Identifiers
-
- 2-Hydroxy-6-pentadec-8-enyl-benzoesaeure
- 2-hydroxy-6-pentadec-8-enyl-benzoic acid
- 6-n-pentadecenylsalicylic acid
- 2-hydroxy-6-pentadec-8-enylbenzoic acid
- Spectrum4_001979
- KBio3_002125
- NS00094737
- Spectrum3_001133
- Benzoic acid, 2-hydroxy-6-(8-pentadecenyl)-
- Spectrum2_000514
- DTXSID40327243
- 2-hydroxy-6-(pentadec-8-en-1-yl) benzoic acid
- FT-0695016
- 2-hydroxy-6-(pentadec-8-en-1-yl)benzoic acid
- 76261-14-8
- KBioGR_002483
- C22H34O3
- NCI60_012889
- SPBio_000467
- SCHEMBL3937217
- 2-hydroxy-6-[(8Z)-pentadec-8-en-1-yl]benzoic acid
- (Z)-2-Hydroxy-6-(pentadec-8-en-1-yl)benzoic acid
-
- Inchi： 1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)
- InChI Key： YXHVCZZLWZYHSA-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(=C1C(=O)O)CCCCCCCC=CCCCCCC
Computed Properties
- Exact Mass: 346.25079494g/mol
- Monoisotopic Mass: 346.25079494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 14
- Complexity: 364
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 8.5
- Topological Polar Surface Area: 57.5?2
2-Hydroxy-6-pentadec-8-enyl-benzoesaeure Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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