Cas no 654663-59-9 (2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, hentriacontyl ester, (2E)-)
654663-59-9 structure
Product Name:2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, hentriacontyl ester, (2E)-
CAS No:654663-59-9
MF:C40H70O4
MW:614.98141336441
CID:398773
PubChem ID:71375800
Update Time:2025-04-19
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, hentriacontyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, hentriacontyl ester, (2E)-
- hentriacontyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
- 654663-59-9
- DTXSID00798531
-
- Inchi： 1S/C40H70O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-35-44-40(43)34-32-37-31-33-38(41)39(42)36-37/h31-34,36,41-42H,2-30,35H2,1H3
- InChI Key： VIXBRBZKDOADEE-UHFFFAOYSA-N
- SMILES： O(C(C=CC1C=CC(=C(C=1)O)O)=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 614.52741071g/mol
- Monoisotopic Mass: 614.52741071g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 44
- Rotatable Bond Count: 33
- Complexity: 633
- 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: 18.2
- Topological Polar Surface Area: 66.8?2
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, hentriacontyl ester, (2E)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Coumaric acids and derivatives
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Coumaric acids and derivatives
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