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219935-32-7

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Basic Information
CAS No.: 219935-32-7
Name: 3-(2-MORPHOLIN-4-YL-ETHOXY)-BENZOIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 219935-32-7 (3-(2-MORPHOLIN-4-YL-ETHOXY)-BENZOIC ACID)
Formula: C13H17NO4
Molecular Weight: 251.282
Synonyms: 3-[2-(Morpholin-4-yl)ethoxy]benzoic acid;3-(2-Morpholinoethoxy)benzoic acid;
Density: 1.214 g/cm3
Boiling Point: 440.175 °C at 760 mmHg
Flash Point: 220.01 °C
Solubility: at 25 deg C (mg/L): 1932
Risk Codes: 41
Safety: 26-39
PSA: 59.00000
LogP: 1.03370
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Specification

The Benzoic acid,3-[2-(4-morpholinyl)ethoxy]-, with the CAS registry number 219935-32-7, is also known as 3-(2-Morpholinoethoxy)benzoic acid. This chemical's molecular formula is C13H17NO4 and molecular weight is 251.28. What's more, its systematic name is 3-[2-(Morpholin-4-yl)ethoxy]benzoic acid.

Physical properties of Benzoic acid,3-[2-(4-morpholinyl)ethoxy]- are: (1)ACD/LogP: 0.83; (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: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 59 Å2; (11)Index of Refraction: 1.552; (12)Molar Refractivity: 66.125 cm3; (13)Molar Volume: 207.055 cm3; (14)Polarizability: 26.214×10-24 cm3; (15)Surface Tension: 46.957 dyne/cm; (16)Density: 1.214 g/cm3; (17)Flash Point: 220.01 °C; (18)Enthalpy of Vaporization: 73.489 kJ/mol; (19)Boiling Point: 440.175 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2cc(OCCN1CCOCC1)ccc2
(2)InChI: InChI=1S/C13H17NO4/c15-13(16)11-2-1-3-12(10-11)18-9-6-14-4-7-17-8-5-14/h1-3,10H,4-9H2,(H,15,16)
(3)InChIKey: VWYBZJICHYTQGB-UHFFFAOYSA-N