CAS No.13041-62-8,4-methoxynaphthalene-1-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13041-62-8
Name:	4-methoxynaphthalene-1-carboxylate
Article Data:	6

Formula:	C₁₂H₁₀O₃
Molecular Weight:	202.21
Synonyms:	1-Naphthoicacid, 4-methoxy- (6CI,7CI,8CI);4-Methoxy-1-naphthalenecarboxylic acid;4-Methoxy-1-naphthoic acid;4-Methoxy-a-naphthoic acid;
EINECS:	200-589-5
Melting Point:	243-247℃
Boiling Point:	388.7 °C at 760 mmHg
Flash Point:	155.8 °C
Solubility:	Soluble in DMSO and chloroform. Slightly soluble in water.
Hazard Symbols:	Xn
Risk Codes:	36-22
Safety:	26
PSA:	49.36000
LogP:	1.21190

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Specification

The 4-Methoxy-1-naphthoic acid is a chemical compound with cas registry number of 13041-62-8. Both its systematic name and IUPAC name are the same which is called 4-methoxynaphthalene-1-carboxylate.

The physical properties about this chemical are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 0.36; (5)ACD/BCF (pH 5.5): 9.05; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 74.89; (8)ACD/KOC (pH 7.4): 1.9; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 155.8 °C; (13)Enthalpy of Vaporization: 67.29 kJ/mol; (14)Boiling Point: 388.7 °C at 760 mmHg; (15)Vapour Pressure: 9.72E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)c2c1ccccc1c(OC)cc2;
(2)InChI: InChI=1/C12H10O3/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,13,14)/p-1;(3)InChIKey: WRQHSQDGYYDRMX-REWHXWOFAV