Cas no 125482-07-7 (Benzoic acid, 3,5-bis(decyloxy)-)
125482-07-7 structure
Product Name:Benzoic acid, 3,5-bis(decyloxy)-
CAS No:125482-07-7
MF:C27H46O4
MW:434.651749134064
CID:2760704
PubChem ID:10320747
Update Time:2025-04-21
Benzoic acid, 3,5-bis(decyloxy)- Chemical and Physical Properties
Names and Identifiers
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- BDBM50046064
- DTXSID90438075
- YRNZOVUMYBUPTG-UHFFFAOYSA-N
- 3,5-bis(decyloxy)benzoic acid
- SCHEMBL9171240
- 125482-07-7
- CHEMBL323508
- Benzoic acid, 3,5-bis(decyloxy)-
- 3,5-Bis-decyloxy-benzoic acid
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- Inchi： 1S/C27H46O4/c1-3-5-7-9-11-13-15-17-19-30-25-21-24(27(28)29)22-26(23-25)31-20-18-16-14-12-10-8-6-4-2/h21-23H,3-20H2,1-2H3,(H,28,29)
- InChI Key： YRNZOVUMYBUPTG-UHFFFAOYSA-N
- SMILES： O(C1C=C(C(=O)O)C=C(C=1)OCCCCCCCCCC)CCCCCCCCCC
Computed Properties
- Exact Mass: 434.33960994Da
- Monoisotopic Mass: 434.33960994Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 31
- Rotatable Bond Count: 21
- Complexity: 382
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.4
- Topological Polar Surface Area: 55.8?2
Benzoic acid, 3,5-bis(decyloxy)- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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