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CAS No.: | 34600-55-0 |
---|---|
Name: | 1-VINYL-1 H-PYRROLE-2-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C7H6NO2 |
Molecular Weight: | 136.1286 |
Synonyms: | ZINC00259238;1-Ethenylpyrrole-2-carboxylate; |
Boiling Point: | 165.2 °C at 760 mmHg |
Flash Point: | 53.7 °C |
Hazard Symbols: | Xi |
PSA: | 42.23000 |
LogP: | 1.28680 |
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The 1-Ethenyl-1H-pyrrole-2-carboxylate, with the CAS registry number of 34600-55-0, is also known as ZINC00259238. This chemical's molecular formula is C7H6NO2 and molecular weight is 136.1286. What's more, its IUPAC name is 1-Ethenylpyrrole-2-carboxylate.
Physical properties about 1-Ethenyl-1H-pyrrole-2-carboxylate are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 42.23 Å2; (7)Flash Point: 53.7 °C; (8)Enthalpy of Vaporization: 42.48 kJ/mol; (9)Boiling Point: 165.2 °C at 760 mmHg; (10)Vapour Pressure: 1.29 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C([O-])c1cccn1\C=C
(2) InChI: InChI=1/C7H7NO2/c1-2-8-5-3-4-6(8)7(9)10/h2-5H,1H2,(H,9,10)/p-1
(3) InChIKey: QKMWGJRTHOVYTE-REWHXWOFAT