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63304-80-3

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Basic Information
CAS No.: 63304-80-3
Name: (4-METHOXY-3-NITROPHENYL)ACETIC ACID
Article Data: 9
Molecular Structure:
Molecular Structure of 63304-80-3 ((4-METHOXY-3-NITROPHENYL)ACETIC ACID)
Formula: C9H9NO5
Molecular Weight: 211.174
Synonyms: (4-Methoxy-3-nitrophenyl)aceticacid;4-Methoxy-5-nitrophenylacetic acid;(4-methoxy-3-nitrophenyl)acetic acid;
Density: 1.382 g/cm3
Boiling Point: 421.6 °C at 760 mmHg
Flash Point: 208.8 °C
PSA: 92.35000
LogP: 1.75370
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Specification

The Benzeneaceticacid, 4-methoxy-3-nitro-, with the CAS registry number 63304-80-3, has the systematic name of sodium (4-methoxy-3-nitrophenyl)acetic acid. And the molecular formula of this chemical is C9H9NO5. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Benzeneaceticacid, 4-methoxy-3-nitro- are as following: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): -2.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.02; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 81.35 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 50.59 cm3; (15)Molar Volume: 152.7 cm3; (16)Polarizability: 20.05×10-24cm3; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.382 g/cm3; (19)Flash Point: 208.8 °C; (20)Enthalpy of Vaporization: 71.23 kJ/mol; (21)Boiling Point: 421.6 °C at 760 mmHg; (22)Vapour Pressure: 7.35E-08 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(ccc1OC)CC(=O)O
(2)InChI: InChI=1/C9H9NO5/c1-15-8-3-2-6(5-9(11)12)4-7(8)10(13)14/h2-4H,5H2,1H3,(H,11,12)
(3)InChIKey: GYXAPUUDUHBTSB-UHFFFAOYAK