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CAS No.: | 34201-01-9 |
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Name: | 3,4-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H8O3 |
Molecular Weight: | 128.128 |
Synonyms: | 3,4-Dihydro-2H-pyran-2-carboxylicacid; |
EINECS: | 251-875-2 |
Density: | 1.243 g/cm3 |
Boiling Point: | 278.3 °C at 760 mmHg |
Flash Point: | 122.5 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 46.53000 |
LogP: | 0.76370 |
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The 2H-Pyran-2-carboxylicacid, 3,4-dihydro- has the CAS registry number 34201-01-9. Its EINECS number is 251-875-2. This chemical's molecular formula is C6H8O3 and molecular weight is 128.13. What's more, its systematic name is 3,4-dihydro-2H-pyran-2-carboxylic acid.
Physical properties of 2H-Pyran-2-carboxylicacid, 3,4-dihydro- are: (1)ACD/LogP: -0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.34; (4)ACD/LogD (pH 7.4): -3.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.501; (12)Molar Refractivity: 30.37 cm3; (13)Molar Volume: 103 cm3; (14)Polarizability: 12.04×10-24cm3; (15)Surface Tension: 46.2 dyne/cm; (16)Density: 1.243 g/cm3; (17)Flash Point: 122.5 °C; (18)Enthalpy of Vaporization: 56.89 kJ/mol; (19)Boiling Point: 278.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00116 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1O\C=C/CC1
(2)InChI: InChI=1S/C6H8O3/c7-6(8)5-3-1-2-4-9-5/h2,4-5H,1,3H2,(H,7,8)
(3)InChIKey: OTLWUWJIIXAOEO-UHFFFAOYSA-N