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CAS No.: | 70170-91-1 |
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Name: | 3-(4-CARBOXYPHENYL)PROPIONIC ACID, 98 |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H10O4 |
Molecular Weight: | 194.187 |
Synonyms: | Propionic acid, 3-(p-formylphenoxy)-(7CI); |
Density: | 1.33 g/cm3 |
Melting Point: | 289-293 °C(lit.) |
Boiling Point: | 406.1 °C at 760 mmHg |
Flash Point: | 213.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 63.60000 |
LogP: | 1.35260 |
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The CAS registry number of Propanoic acid, 3-(4-formylphenoxy)- is 70170-91-1. This chemical is also named as 3-(4-Carboxyphenyl)propanoic acid. In addition, its molecular formula is C10H10O4 and molecular weight is 194.184. Its systematic name is called 4-(2-carboxyethyl)benzoic acid.
Physical properties about Propanoic acid, 3-(4-formylphenoxy)- are: (1)ACD/LogP: 1.52; (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): 1.08; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.585; (11)Molar Refractivity: 48.92 cm3; (12)Molar Volume: 145.9 cm3; (13)Surface Tension: 60.8 dyne/cm; (14)Density: 1.33 g/cm3; (15)Flash Point: 213.6 °C; (16)Enthalpy of Vaporization: 69.36 kJ/mol; (17)Boiling Point: 406.1 °C at 760 mmHg.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)CCC(=O)O
(2)InChI: InChI=1/C10H10O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H,11,12)(H,13,14)
(3)InChIKey: QSPCOYVUYYFWAU-UHFFFAOYAS