Cas no 42574-72-1 (2-Butenoic acid,4-oxo-4-(3-pyridinylamino)-, (2Z)-)
42574-72-1 structure
Product Name:2-Butenoic acid,4-oxo-4-(3-pyridinylamino)-, (2Z)-
2-Butenoic acid,4-oxo-4-(3-pyridinylamino)-, (2Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid,4-oxo-4-(3-pyridinylamino)-, (2Z)-
- (E)-4-oxo-4-(pyridin-3-ylamino)but-2-enoic acid
- 3-(Pyridin-3-ylcarbamoyl)-acrylic acid
- 3-pyridylamide maleic acid
- AC1LF3HQ
- CCG-588
- HMS2522C16
- maleic acid 3-pyridylmonoamide
- N-(3-Pyridyl)-maleamic acid
- N-(3-Pyridyl)-maleiamic acid
- NSC209948
- 42574-72-1
- BDBM56547
- NSC-209948
- SCHEMBL17667095
- 4-oxo-4-(3-pyridinylamino)-2-butenoic acid
- DVKSJLWFAOFXDM-ONEGZZNKSA-N
- (2E)-4-Oxo-4-(3-pyridinylamino)-2-butenoic acid #
- cid_697042
- (E)-4-keto-4-(3-pyridylamino)but-2-enoic acid
- (E)-4-oxidanylidene-4-(pyridin-3-ylamino)but-2-enoic acid
- 4-Oxo-4-(3-pyridylamino)but-2-enoic acid
- CHEMBL1335699
- 2-Butenoic acid, 4-oxo-4-(3-pyridilamino)-, (Z)
- AKOS000582079
- (E)-4-oxo-4-(3-pyridinylamino)-2-butenoic acid
- SMR000171652
- MLS000553640
-
- Inchi： 1S/C9H8N2O3/c12-8(3-4-9(13)14)11-7-2-1-5-10-6-7/h1-6H,(H,11,12)(H,13,14)/b4-3+
- InChI Key： DVKSJLWFAOFXDM-ONEGZZNKSA-N
- SMILES： O=C(/C=C/C(=O)O)NC1C=NC=CC=1
Computed Properties
- Exact Mass: 192.05354
- Monoisotopic Mass: 192.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 250
- 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: 79.3?2
Experimental Properties
- Density: 1.402
- Boiling Point: 483.1°C at 760 mmHg
- Flash Point: 246°C
- Refractive Index: 1.642
- PSA: 79.29
- LogP: 0.73390
2-Butenoic acid,4-oxo-4-(3-pyridinylamino)-, (2Z)- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
42574-72-1 (2-Butenoic acid,4-oxo-4-(3-pyridinylamino)-, (2Z)-) Related Products
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