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61948-83-2

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Basic Information
CAS No.: 61948-83-2
Name: 3-BENZYLOXY-4-METHOXY-6-NITRO-BENZOIC ACID
Molecular Structure:
Molecular Structure of 61948-83-2 (3-BENZYLOXY-4-METHOXY-6-NITRO-BENZOIC ACID)
Formula: C10H11NO6
Molecular Weight: 241.2
Synonyms: 5-Ethoxy-4-methoxy-2-nitrobenzoic acid;
Density: 1.352 g/cm3
Melting Point: 213-214 °C
Boiling Point: 416.5 °C at 760 mmHg
Flash Point: 205.7 °C
PSA: 101.58000
LogP: 3.40380
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Specification

The Benzoic acid,5-ethoxy-4-methoxy-2-nitro- has the CAS registry number 61948-83-2. This chemical's molecular formula is C10H11NO6 and molecular weight is 241.20. What's more, its systematic name is 5-Ethoxy-4-methoxy-2-nitrobenzoic acid.

Physical properties of Benzoic acid,5-ethoxy-4-methoxy-2-nitro- are: (1)ACD/LogP: 2.66; (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; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 90.58 Å2; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 57.71 cm3; (13)Molar Volume: 178.3 cm3; (14)Polarizability: 22.88×10-24 cm3; (15)Surface Tension: 51.6 dyne/cm; (16)Density: 1.352 g/cm3; (17)Flash Point: 205.7 °C; (18)Enthalpy of Vaporization: 70.61 kJ/mol; (19)Boiling Point: 416.5 °C at 760 mmHg; (20)Vapour Pressure: 1.11E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(OC)c(OCC)cc1C(=O)O
(2)InChI: InChI=1/C10H11NO6/c1-3-17-9-4-6(10(12)13)7(11(14)15)5-8(9)16-2/h4-5H,3H2,1-2H3,(H,12,13)
(3)InChIKey: HVTHICJFQQKQDW-UHFFFAOYSA-N