Cas no 100311-35-1 (Benzoic acid,3,5-di-2-propen-1-yl-4-propoxy-)
100311-35-1 structure
Product Name:Benzoic acid,3,5-di-2-propen-1-yl-4-propoxy-
CAS No:100311-35-1
MF:C16H20O3
MW:260.328205108643
CID:158930
PubChem ID:57767
Update Time:2025-04-19
Benzoic acid,3,5-di-2-propen-1-yl-4-propoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3,5-di-2-propen-1-yl-4-propoxy-
- 3,5-bis(prop-2-enyl)-4-propoxybenzoic acid
- Benzoicacid, 3,5-di-2-propenyl-4-propoxy- (9CI)
- Benzoic acid, 3,5-diallyl-4-propoxy-(6CI)
- 3,5-Diallyl-4-propoxybenzoic acid
- DTXSID10143154
- 100311-35-1
- BRN 2657489
- BENZOIC ACID, 3,5-DIALLYL-4-PROPOXY-
-
- Inchi： 1S/C16H20O3/c1-4-7-12-10-14(16(17)18)11-13(8-5-2)15(12)19-9-6-3/h4-5,10-11H,1-2,6-9H2,3H3,(H,17,18)
- InChI Key： KISJXFJRHVRMSH-UHFFFAOYSA-N
- SMILES： O(CCC)C1C(=CC(C(=O)O)=CC=1CC=C)CC=C
Computed Properties
- Exact Mass: 260.1413
- Monoisotopic Mass: 260.141245
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 291
- 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
- Topological Polar Surface Area: 46.5
- XLogP3: 4.5
Experimental Properties
- Density: 1.05
- Boiling Point: 375.9°Cat760mmHg
- Flash Point: 131.7°C
- Refractive Index: 1.533
- PSA: 46.53
- LogP: 3.63060
Benzoic acid,3,5-di-2-propen-1-yl-4-propoxy- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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