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1-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-7-methoxy- (85858-95-3)

Identification
Name:1-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-7-methoxy-
Synonyms:1-Naphthoicacid, 1,2,3,4-tetrahydro-7-methoxy- (6CI);7-Methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;
CAS:85858-95-3
Molecular Formula: C12H14O3
Molecular Weight: 206.24
InChI: InChI=1/C12H14O3/c1-15-9-6-5-8-3-2-4-10(12(13)14)11(8)7-9/h5-7,10H,2-4H2,1H3,(H,13,14)
Molecular Structure: (C12H14O3) 1-Naphthoicacid, 1,2,3,4-tetrahydro-7-methoxy- (6CI);7-Methoxy-1,2,3,4-tetrahydronaphthalene-1-carbo...
Properties
Density:1.195g/cm3
Refractive index:1.561
Specification:

The 1,2,3,4-Tetrahydro-7-methoxy-1-naphthalenecarboxylic acid, with cas registry number 85858-95-3, has the systematic name of 7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid. And it is also called 1-naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-7-methoxy-.

Physical properties about this chemical are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.53 Å2; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 55.825 cm3; (14)Molar Volume: 172.514 cm3; (15)Polarizability: 22.131×10-24cm3; (16)Surface Tension: 46.887 dyne/cm; (17)Enthalpy of Vaporization: 65.662 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: OC(=O)C2CCCc1ccc(cc12)OC
(2)InChI: InChI=1/C12H14O3/c1-15-9-6-5-8-3-2-4-10(12(13)14)11(8)7-9/h5-7,10H,2-4H2,1H3,(H,13,14)
(3)InChIKey: WJNRAOKRAWFGFS-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H14O3/c1-15-9-6-5-8-3-2-4-10(12(13)14)11(8)7-9/h5-7,10H,2-4H2,1H3,(H,13,14)
(5)Std. InChIKey: WJNRAOKRAWFGFS-UHFFFAOYSA-N

Safety Data
 

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