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| CAS No.: | 73401-74-8 |
|---|---|
| Name: | 4-(HYDROXYMETHYL)PHENYLACETIC ACID |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C9H10O3 |
| Molecular Weight: | 166.177 |
| Synonyms: | 4-(Hydroxymethyl)phenylaceticacid;PAM LINKER; |
| Density: | 1.271 g/cm3 |
| Melting Point: | 131-134 °C(lit.) |
| Boiling Point: | 357.841 °C at 760 mmHg |
| Flash Point: | 184.406 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36 |
| Safety: | 26-36 |
| PSA: | 57.53000 |
| LogP: | 0.80600 |
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Specification
The Benzeneacetic acid,4-(hydroxymethyl)-, with the CAS registry number 73401-74-8, is also known as 4-(Hydroxymethyl)phenylacetic acid. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives; C9; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C9H10O3 and formula weight is 166.17. What's more, its IUPAC name is 2-[4-(hydroxymethyl)phenyl]acetic acid.
Physical properties of Benzeneacetic acid,4-(hydroxymethyl)- are: (1)ACD/LogP: 0.21; (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): 1.81; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 57.53 Å2; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 43.818 cm3; (13)Molar Volume: 130.693 cm3; (14)Surface Tension: 57.065 dyne/cm; (15)Density: 1.271 g/cm3; (16)Flash Point: 184.406 °C; (17)Enthalpy of Vaporization: 63.654 kJ/mol; (18)Boiling Point: 357.841 °C at 760 mmHg.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Besides you should wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1CC(=O)O)CO
(2)InChI: InChI=1S/C9H10O3/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4,10H,5-6H2,(H,11,12)
(3)InChIKey: FWZBPBKAANKOJQ-UHFFFAOYSA-N