Cas no 87933-80-0 (2-Propenoic acid, 3-(4-hydroxyphenyl)-, 4-hydroxyphenyl ester)
87933-80-0 structure
Product Name:2-Propenoic acid, 3-(4-hydroxyphenyl)-, 4-hydroxyphenyl ester
CAS No:87933-80-0
MF:C15H12O4
MW:256.253384590149
CID:650594
PubChem ID:71411777
Update Time:2025-04-19
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 4-hydroxyphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 4-hydroxyphenyl ester
- (4-hydroxyphenyl) 3-(4-hydroxyphenyl)prop-2-enoate
- DTXSID10831367
- 4-Hydroxyphenyl 3-(4-hydroxyphenyl)prop-2-enoate
- 87933-80-0
-
- Inchi： 1S/C15H12O4/c16-12-4-1-11(2-5-12)3-10-15(18)19-14-8-6-13(17)7-9-14/h1-10,16-17H
- InChI Key： HBTCONOQWCUFLS-UHFFFAOYSA-N
- SMILES： O(C(C=CC1C=CC(=CC=1)O)=O)C1C=CC(=CC=1)O
Computed Properties
- Exact Mass: 256.07355886g/mol
- Monoisotopic Mass: 256.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 310
- 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: 3
- Topological Polar Surface Area: 66.8?2
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 4-hydroxyphenyl ester Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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