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| CAS No.: | 80003-54-9 |
|---|---|
| Name: | 1-Amino-2-ethenylcyclopropanecarboxylicacid |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C6H9NO2 |
| Molecular Weight: | 127.143 |
| Synonyms: | 1-Amino-2-vinylcyclopropanecarboxylic acid;1-Amino-2-vinylcyclopropanecarboxylicacid; |
| Density: | 1.377 g/cm3 |
| Boiling Point: | 234.887 °C at 760 mmHg |
| Flash Point: | 95.856 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 63.32000 |
| LogP: | 0.67470 |
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Specification
The Cyclopropanecarboxylicacid, 1-amino-2-ethenyl-, with the CAS registry number 80003-54-9, is also known as 1-Amino-2-vinylcyclopropanecarboxylicacid. It belongs to the product category of Aminoacid. This chemical's molecular formula is C6H9NO2 and molecular weight is 127.1412. What's more, its systematic name is 1-Amino-2-vinylcyclopropanecarboxylic acid.
Physical properties about Cyclopropanecarboxylicacid, 1-amino-2-ethenyl- are: (1)ACD/LogP: -0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.662; (12)Molar Refractivity: 34.181 cm3; (13)Molar Volume: 92.349 cm3; (14)Polarizability: 13.55×10-24 cm3; (15)Surface Tension: 79.781; (16)dyne/cm Density: 1.377 g/cm3; (17)Flash Point: 95.856 °C; (18)Enthalpy of Vaporization: 51.95 kJ/mol; (19)Boiling Point: 234.887 °C at 760 mmHg; (20)Vapour Pressure: 0.018 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)C1(N)CC1C=C
(2) InChI: InChI=1/C6H9NO2/c1-2-4-3-6(4,7)5(8)9/h2,4H,1,3,7H2,(H,8,9)
(3) InChIKey: GALLMPFNVWUCGD-UHFFFAOYAC