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CAS No.: | 29865-49-4 |
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Name: | (4-METHOXYPHENYL)-2-NITROPROPANE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H13NO3 |
Molecular Weight: | 195.218 |
Synonyms: | Anisole,p-(2-nitropropyl)- (8CI);(4-Methoxyphenyl)-2-nitropropane; |
Density: | 1.109 g/cm3 |
Boiling Point: | 313.5 °C at 760 mmHg |
Flash Point: | 139.2 °C |
PSA: | 55.05000 |
LogP: | 2.42610 |
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The Benzene, 1-methoxy-4-(2-nitropropyl)-, with the CAS registry number 29865-49-4, is also known as (4-Methoxyphenyl)-2-nitropropane. This chemical's molecular formula is C10H13NO3 and molecular weight is 195.22. What's more, its systematic name is 1-Methoxy-4-(2-nitropropyl)benzene.
Physical properties about Benzene, 1-methoxy-4-(2-nitropropyl)- are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.24; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 55.05 Å2; (9)Index of Refraction: 1.515; (10)Molar Refractivity: 53.09 cm3; (11)Molar Volume: 175.9 cm3; (12)Polarizability: 21.04×10-24 cm3; (13)Surface Tension: 37.8 dyne/cm; (14)Density: 1.109 g/cm3; (15)Flash Point: 139.2 °C; (16)Enthalpy of Vaporization: 55.46 kJ/mol; (17)Boiling Point: 313.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000495 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(CC(C)[N+]([O-])=O)cc1
(2) InChI: InChI=1/C10H13NO3/c1-8(11(12)13)7-9-3-5-10(14-2)6-4-9/h3-6,8H,7H2,1-2H3
(3) InChIKey: CSMWRHUVDRHGAR-UHFFFAOYAY