Cas no 654663-60-2 (2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, nonacosyl ester, (2E)-)
654663-60-2 structure
Product Name:2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, nonacosyl ester, (2E)-
CAS No:654663-60-2
MF:C38H66O4
MW:586.928252696991
CID:398772
PubChem ID:71375799
Update Time:2025-04-19
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, nonacosyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, nonacosyl ester, (2E)-
- nonacosyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
- DTXSID40798530
- 654663-60-2
-
- Inchi： 1S/C38H66O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-42-38(41)32-30-35-29-31-36(39)37(40)34-35/h29-32,34,39-40H,2-28,33H2,1H3
- InChI Key： QGGNKCVMGSWVQA-UHFFFAOYSA-N
- SMILES： O(C(C=CC1C=CC(=C(C=1)O)O)=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 586.49611058g/mol
- Monoisotopic Mass: 586.49611058g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 42
- Rotatable Bond Count: 31
- Complexity: 604
- 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: 17.1
- Topological Polar Surface Area: 66.8?2
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, nonacosyl ester, (2E)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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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