Cas no 886851-67-8 (2-Propenoicacid, 3-(dimethylamino)-2-formyl-, methyl ester)
886851-67-8 structure
Product Name:2-Propenoicacid, 3-(dimethylamino)-2-formyl-, methyl ester
CAS No:886851-67-8
MF:C7H11NO3
MW:157.167142152786
CID:706617
PubChem ID:55264374
Update Time:2025-04-19
2-Propenoicacid, 3-(dimethylamino)-2-formyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoicacid, 3-(dimethylamino)-2-formyl-, methyl ester
- Methyl 3-N,N-dimethylamino-2-formylacrylate
- SCHEMBL20176970
- 2-Propenoicacid,3-(dimethylamino)-2-formyl-,methyl ester
- 2-Propenoic acid, 3-(dimethylamino)-2-formyl-, methyl ester
- AKOS006306334
- 886851-67-8
-
- Inchi： 1S/C7H11NO3/c1-8(2)4-6(5-9)7(10)11-3/h4-5H,1-3H3/b6-4+
- InChI Key： LQKDIBJFURSRBZ-GQCTYLIASA-N
- SMILES： O(C)C(/C(/C=O)=C/N(C)C)=O
Computed Properties
- Exact Mass: 157.07400
- Monoisotopic Mass: 157.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 184
- 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: 0.2
- Topological Polar Surface Area: 46.6?2
Experimental Properties
- PSA: 46.61000
- LogP: -0.19620
2-Propenoicacid, 3-(dimethylamino)-2-formyl-, methyl ester Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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