Cas no 72955-41-0 (2-Propenoic acid,2-cyano-3-(3-hydroxyphenyl)-, methyl ester)
72955-41-0 structure
Product Name:2-Propenoic acid,2-cyano-3-(3-hydroxyphenyl)-, methyl ester
CAS No:72955-41-0
MF:C11H9NO3
MW:203.194062948227
CID:579952
PubChem ID:1551447
Update Time:2025-04-19
2-Propenoic acid,2-cyano-3-(3-hydroxyphenyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,2-cyano-3-(3-hydroxyphenyl)-, methyl ester
- methyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate
- (trans-2-Phenyl-3-< 2-methoxyphenyl> -acrylsaeuremethylester)
- 3t-(2-methoxy-phenyl)-2-phenyl-acrylic acid meth
- 3t-(2-Methoxy-phenyl)-2-phenyl-acrylsaeure-methylester
- 3t-(3-Hydroxy-phenyl)-2-cyan-acrylsaeure-methylester
- 3t-(3-hydroxy-phenyl)-2-cyano-acrylic acid methyl ester
- methyl (E)-2-cyano-3-(3-hydroxyphenyl)-2-propenoate
- METHYL (E)-3-(2-METHOXYPHENYL)-2-PHENYL-2-PROPENOATE
- methyl (E)-3-(2-methoxyphenyl)-2-phenylacrylate
- NSC131221
- Z44298136
- 72955-41-0
- methyl (Z)-2-cyano-3-(3-hydroxyphenyl)prop-2-enoate
- AKOS003851728
- NSC-131221
-
- Inchi： 1S/C11H9NO3/c1-15-11(14)9(7-12)5-8-3-2-4-10(13)6-8/h2-6,13H,1H3/b9-5-
- InChI Key： XNXWRKJBJPQBJK-UITAMQMPSA-N
- SMILES： OC1=CC=CC(/C=C(/C#N)\C(=O)OC)=C1
Computed Properties
- Exact Mass: 203.05827
- Monoisotopic Mass: 203.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 313
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 70.3?2
Experimental Properties
- Density: 1.281
- Boiling Point: 393.8°Cat760mmHg
- Flash Point: 192°C
- Refractive Index: 1.608
- PSA: 70.32
- LogP: 1.47218
2-Propenoic acid,2-cyano-3-(3-hydroxyphenyl)-, methyl ester Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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