Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3H-Naphtho[2,1-b]pyran-2-carboxylicacid, 3-oxo- |
EINECS | N/A |
CAS No. | 4361-00-6 | Density | 1.487 g/cm3 |
PSA | 67.51000 | LogP | 2.64440 |
Solubility | N/A | Melting Point |
236-239 °C |
Formula | C14H8O4 | Boiling Point | 486.2 °C at 760 mmHg |
Molecular Weight | 240.215 | Flash Point | 194 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Malonic acid, [(2-hydroxy-1-naphthyl)methylene]-,d-lactone (6CI,7CI);3H-Naphtho[2,1-b]pyran-3-one-2-carboxylic acid; |
Article Data | 48 |
The 3H-Naphtho[2, 1-b]pyran-2-carboxylicacid, 3-oxo-, with the CAS registry number 4361-00-6, is also known as 3-Oxo-3H-naphtho[2, 1-b]pyran-2-carboxylic acid. This chemical's molecular formula is C14H8O4 and molecular weight is 240.21. What's more, its systematic name is 3-Oxo-3H-benzo[f]chromene-2-carboxylic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 3H-Naphtho[2, 1-b]pyran-2-carboxylicacid, 3-oxo- are: (1)ACD/LogP: 2.85; (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: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.719; (12)Molar Refractivity: 63.71 cm3; (13)Molar Volume: 161.4 cm3; (14)Polarizability: 25.25×10-24 cm3; (15)Surface Tension: 71.2 dyne/cm; (16)Density: 1.487 g/cm3; (17)Flash Point: 194 °C; (18)Enthalpy of Vaporization: 79.19 kJ/mol; (19)Boiling Point: 486.2 °C at 760 mmHg; (20)Vapour Pressure: 2.88E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C\1=C\c2c(OC/1=O)ccc3c2cccc3
(2) InChI: InChI=1/C14H8O4/c15-13(16)11-7-10-9-4-2-1-3-8(9)5-6-12(10)18-14(11)17/h1-7H,(H,15,16)
(3) InChIKey: RMHHFZIWCLXRTA-UHFFFAOYAY