Cas no 38867-17-3 (2,6-HEPTADIENOIC ACID, 96%, PREDOMINANTLY TRANS)
38867-17-3 structure
Product Name:2,6-HEPTADIENOIC ACID, 96%, PREDOMINANTLY TRANS
CAS No:38867-17-3
MF:C7H10O2
MW:126.153102397919
CID:924001
PubChem ID:5813247
Update Time:2025-04-19
2,6-HEPTADIENOIC ACID, 96%, PREDOMINANTLY TRANS Chemical and Physical Properties
Names and Identifiers
-
- (2E)-hepta-2,6-dienoic acid
- 2,6-Heptadienoic acid,predominantly trans
- SCHEMBL473760
- QQVKNEQDEIZBLC-AATRIKPKSA-N
- (e)-2,6-heptadienoic acid
- 68860-52-6
- SCHEMBL473758
- Hepta-2,6-dienoic Acid
- AKOS006223969
- 2,6-Heptadienoic acid,96%,predominantly trans
- (E)-Hepta-2,6-dienoic acid
- DTXSID60421035
- 2,6-HEPTADIENOIC ACID, 96%, PREDOMINANTLY TRANS
- 38867-17-3
-
- Inchi： 1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h2,5-6H,1,3-4H2,(H,8,9)/b6-5+
- InChI Key： QQVKNEQDEIZBLC-AATRIKPKSA-N
- SMILES： OC(/C=C/CCC=C)=O
Computed Properties
- Exact Mass: 126.0681
- Monoisotopic Mass: 126.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 125
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.971?g/mL?at 25?°C(lit.)
- Boiling Point: 76-81?°C2?mm Hg(lit.)
- Flash Point: >230?°F
- Refractive Index: n20/D 1.473(lit.)
- PSA: 37.3
2,6-HEPTADIENOIC ACID, 96%, PREDOMINANTLY TRANS Security Information
- Hazardous Material transportation number：UN 3265 8/PG 2
- WGK Germany：3
- Hazard Category Code： 34
- Safety Instruction： 26-27-28-36/37/39-45
-
Hazardous Material Identification：
- HazardClass：8
- PackingGroup：III
2,6-HEPTADIENOIC ACID, 96%, PREDOMINANTLY TRANS Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
38867-17-3 (2,6-HEPTADIENOIC ACID, 96%, PREDOMINANTLY TRANS) Related Products
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- 15790-94-0(trans-2-Undecenoic acid)
- 1191-04-4(hex-2-enoic acid)
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