CAS No.37934-89-7,2,6-DIMETHYL-4-METHOXYBENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37934-89-7
Name:	2,6-DIMETHYL-4-METHOXYBENZOIC ACID
Article Data:	5

Formula:	C₁₀H₁₂O₃
Molecular Weight:	180.203
Synonyms:	p-Anisicacid, 2,6-dimethyl- (7CI);2,6-Dimethyl-4-methoxybenzoic acid;
Density:	1.136 g/cm³
Melting Point:	144.5-145 °C
Boiling Point:	310 °C at 760 mmHg
Flash Point:	121.7 °C
PSA:	46.53000
LogP:	2.01020

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Specification

The Benzoic acid,4-methoxy-2,6-dimethyl- is an organic compound with the formula C₁₀H₁₂O₃. The IUPAC name of this chemical is 1-benzo[f][1,3]benzodioxol-6-ylethanone. With the CAS registry number 37934-89-7, it is also named as 4-methoxy-2,6-dimethylbenzoic acid.

Physical properties about Benzoic acid,4-methoxy-2,6-dimethyl- are: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 5.5): 1.36; (3)ACD/BCF (pH 5.5): 2.76; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 26.63; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.537; (12)Molar Refractivity: 49.51 cm³; (13)Molar Volume: 158.5 cm³; (14)Polarizability: 19.62×10^-24cm³; (15)Surface Tension: 41.1 dyne/cm; (16)Density: 1.136 g/cm³; (17)Flash Point: 121.7 °C; (18)Enthalpy of Vaporization: 58.15 kJ/mol; (19)Boiling Point: 310 °C at 760 mmHg; (20)Vapour Pressure: 0.000266 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cc(OC)cc1C)C
(2)InChI: InChI=1/C10H12O3/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5H,1-3H3,(H,11,12)
(3)InChIKey: GFWRERVOFRPXKB-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H12O3/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5H,1-3H3,(H,11,12)
(5)Std. InChIKey: GFWRERVOFRPXKB-UHFFFAOYSA-N