Cas no 118409-56-6 (2-Propenoic acid,2-cyano-3-(3,4-dihydroxyphenyl)-)
118409-56-6 structure
Product Name:2-Propenoic acid,2-cyano-3-(3,4-dihydroxyphenyl)-
CAS No:118409-56-6
MF:C10H7NO4
MW:205.166882753372
CID:131841
PubChem ID:5328793
Update Time:2025-04-19
2-Propenoic acid,2-cyano-3-(3,4-dihydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,2-cyano-3-(3,4-dihydroxyphenyl)-
- 2-Propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)- (9CI)
- Tyrphostin AG30
- D70090
- 2-propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, (2E)-
- HY-118532
- 2-Propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, (E)-
- alpha-Cyano-3,4-dihydroxycinnamic acid
- (E)-2-cyano-3-(3,4-dihydroxyphenyl)acrylic acid
- 2-Propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, (2E)- (9CI)
- XEA52079
- 122520-79-0
- AKOS000146224
- CHEMBL73820
- (E)-2-cyano-3-(3,4-dihydroxyphenyl)acrylicacid
- AG 30
- HSCI1_000132
- CS-0066283
- alpha-Cyano-(3,4-dihydroxy)cinnamic acid
- Tyrphostin AG 30
- (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
- AMY25959
- MFCD09739079
- benzylidenemalononitrile (BMN) deriv. 36
- (E)-2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid
- ag30
- J-004814
- BS-15011
- Tyrophostin AG 30
- Tyrphostin AG30(AG30)
- (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
- 118409-56-6
- AG-30
- BDBM4352
-
- Inchi： 1S/C10H7NO4/c11-5-7(10(14)15)3-6-1-2-8(12)9(13)4-6/h1-4,12-13H,(H,14,15)/b7-3+
- InChI Key： CJMWBHLWSMKFSM-XVNBXDOJSA-N
- SMILES： OC1=C(C=CC(/C=C(\C#N)/C(=O)O)=C1)O
Computed Properties
- Exact Mass: 205.03751
- Monoisotopic Mass: 205.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 328
- 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
- Topological Polar Surface Area: 102A^2
- XLogP3: 1.1
Experimental Properties
- Density: 1.559
- Boiling Point: 465.6°Cat760mmHg
- Flash Point: 235.4°C
- Refractive Index: 1.717
- PSA: 101.55
- LogP: 1.08938
2-Propenoic acid,2-cyano-3-(3,4-dihydroxyphenyl)- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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