Benzoicacid, 3-methyl-4-(phenylmethoxy)- supplier

Name
4-BENZYLOXY-3-METHYLBENZOIC ACID
EINECS
CAS No. 72323-93-4
Article Data5
CAS DataBase
Density 1.194 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₄O₃
Boiling Point 402.211 °C at 760 mmHg
Molecular Weight 242.274
Flash Point 151.131 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms m-Toluicacid, 4-(benzyloxy)- (6CI);4-Benzyloxy-3-methyl-benzoic acid;
PSA
LogP

Benzoicacid, 3-methyl-4-(phenylmethoxy)- Specification

The Benzoicacid, 3-methyl-4-(phenylmethoxy)-, with the CAS registry number 72323-93-4, is also known as m-Toluicacid, 4-(benzyloxy)- (6CI). This chemical's molecular formula is C₁₅H₁₄O₃ and molecular weight is 242.27. What's more, its systematic name is 4-Benzyloxy-3-methyl-benzoic acid.

Physical properties of Benzoicacid, 3-methyl-4-(phenylmethoxy)- are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.739; (4)ACD/LogD (pH 7.4): 1.062; (5)ACD/BCF (pH 5.5): 40.74; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 255.686; (8)ACD/KOC (pH 7.4): 5.379; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 69.174 cm³; (15)Molar Volume: 202.942 cm³; (16)Polarizability: 27.423×10^-24cm³; (17)Surface Tension: 48.61 dyne/cm; (18)Density: 1.194 g/cm³; (19)Flash Point: 151.131 °C; (20)Enthalpy of Vaporization: 68.896 kJ/mol; (21)Boiling Point: 402.211 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(ccc1OCc2ccccc2)C(=O)O
(2)InChI: InChI=1/C15H14O3/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
(3)InChIKey: NLQKPMZDWHTVCF-UHFFFAOYSA-N

Product Name

4-BENZYLOXY-3-METHYLBENZOIC ACID

Benzoicacid, 3-methyl-4-(phenylmethoxy)- Specification

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