Products Categories
CAS No.: | 22649-28-1 |
---|---|
Name: | 2H-CHROMENE-3-CARBOXYLIC ACID |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H8O3 |
Molecular Weight: | 176.172 |
Synonyms: | 2H-Chromene-3-carboxylic acid, 90+%; |
Density: | 1.346 g/cm3 |
Melting Point: | 184-186 °C |
Boiling Point: | 327.3 °C at 760 mmHg |
Flash Point: | 134.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 46.53000 |
LogP: | 1.54700 |
What can I do for you?
Get Best Price
The 2H-1-Benzopyran-3-carboxylicacid, with the CAS registry number of 22649-28-1, is also known as 2H-Chromene-3-carboxylic acid, 90+%. This chemical's molecular formula is C10H8O3 and molecular weight is 176.17. What's more, its IUPAC name is 2H-Chromene-3-carboxylic acid.
Physical properties about the 2H-1-Benzopyran-3-carboxylicacid are: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.88; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 45.73 cm3; (14)Molar Volume: 130.8 cm3; (15)Surface Tension: 56.6 dyne/cm; (16)Density: 1.346 g/cm3; (17)Flash Point: 134.8 °C; (18)Enthalpy of Vaporization: 60.12 kJ/mol; (19)Boiling Point: 327.3 °C at 760 mmHg; (20)Vapour Pressure: 8.29E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)\C1=C\c2c(OC1)cccc2
(2) InChI: InChI=1/C10H8O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H,11,12)
(3) InChIKey: DEBZQUFVQZPPLC-UHFFFAOYAY