Cas no 69573-63-3 (2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, nonadecyl ester, (2E)-)
69573-63-3 structure
Product Name:2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, nonadecyl ester, (2E)-
CAS No:69573-63-3
MF:C28H46O4
MW:446.662449359894
CID:1738093
PubChem ID:71374399
Update Time:2025-04-21
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, nonadecyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, nonadecyl ester, (2E)-
- nonadecyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
- DTXSID40797184
- 69573-63-3
-
- Inchi： 1S/C28H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-28(31)22-20-25-19-21-26(29)27(30)24-25/h19-22,24,29-30H,2-18,23H2,1H3/b22-20+
- InChI Key： HEWHLFWASLHENG-LSDHQDQOSA-N
- SMILES： CCCCCCCCCCCCCCCCCCCOC(/C=C/C1C=C(O)C(O)=CC=1)=O
Computed Properties
- Exact Mass: 446.33978
- Monoisotopic Mass: 446.33960994g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 21
- Complexity: 462
- 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: 11.7
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, nonadecyl ester, (2E)- 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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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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