Cas no 75750-97-9 (2,6-Octadienoic acid, 8-hydroxy-3-methyl-, methyl ester, (Z,E)-)
75750-97-9 structure
Product Name:2,6-Octadienoic acid, 8-hydroxy-3-methyl-, methyl ester, (Z,E)-
CAS No:75750-97-9
MF:C10H16O3
MW:184.232243537903
CID:539024
PubChem ID:71403714
Update Time:2025-04-19
2,6-Octadienoic acid, 8-hydroxy-3-methyl-, methyl ester, (Z,E)- Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Octadienoic acid, 8-hydroxy-3-methyl-, methyl ester, (Z,E)-
- methyl 8-hydroxy-3-methylocta-2,6-dienoate
- 75750-97-9
- DTXSID40824606
-
- Inchi： 1S/C10H16O3/c1-9(8-10(12)13-2)6-4-3-5-7-11/h3,5,8,11H,4,6-7H2,1-2H3
- InChI Key： BTFOVQPKFWTHCS-UHFFFAOYSA-N
- SMILES： O(C)C(C=C(C)CCC=CCO)=O
Computed Properties
- Exact Mass: 184.10998
- Monoisotopic Mass: 184.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 204
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 1.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2,6-Octadienoic acid, 8-hydroxy-3-methyl-, methyl ester, (Z,E)- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
75750-97-9 (2,6-Octadienoic acid, 8-hydroxy-3-methyl-, methyl ester, (Z,E)-) Related Products
- 1189-09-9(Methyl geranate)
- 27234-05-5(Octadecenoic acid,methyl ester)
- 1903-23-7(ethyl 2-cycloheptylideneacetate)
- 1552-92-7(2-Cyclohexylidene-acetic Acid Ethyl Ester)
- 22104-69-4(2-Heptenoic acid,methyl ester)
- 10485-70-8(2,6,10-Dodecatrienoicacid, 3,7,11-trimethyl-, methyl ester)
- 7367-81-9(Methyl (E)-oct-2-enoate)
- 1903-22-6(Ethyl 2-cyclopentylideneacetate)
- 15677-00-6(Ethyl-3-methyl-2-hexenoate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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