Cas no 29707-99-1 (2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester, (2E)-)
29707-99-1 structure
Product Name:2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester, (2E)-
CAS No:29707-99-1
MF:C16H13NO2
MW:251.279924154282
CID:1440182
PubChem ID:736716
Update Time:2025-04-20
2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester, (2E)-
- AKOS000656321
- CHEMBL4069249
- Ethyl2-Cyano-3-(1-naphthalenyl)acrylate
- Ethyl 2-cyano-trans-3-(1-naphthyl)acrylate
- Ethyl (2E)-2-cyano-3-(1-naphthyl)-2-propenoate #
- 29707-99-1
- MFCD00178328
- AC7738
- ethyl (E)-2-cyano-3-(1-naphthyl)prop-2-enoate
- Ethyl 2-Cyano-3-(1-naphthalenyl)acrylate
- SCHEMBL10521426
- A865759
- ethyl 2-cyano-3-naphthalen-1-ylprop-2-enoate
- 7498-85-3
- AS-31698
- CCG-239773
- ethyl (E)-2-cyano-3-naphthalen-1-ylprop-2-enoate
-
- MDL： MFCD00178328
- Inchi： 1S/C16H13NO2/c1-2-19-16(18)14(11-17)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-10H,2H2,1H3/b14-10+
- InChI Key： LKIMUVKEQPRZFV-GXDHUFHOSA-N
- SMILES： O(CC)C(/C(/C#N)=C/C1C=CC=C2C=CC=CC2=1)=O
Computed Properties
- Exact Mass: 251.09469
- Monoisotopic Mass: 251.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 404
- 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: 3.7
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09
2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, ethyl ester, (2E)- Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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