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24077-98-3

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Basic Information
CAS No.: 24077-98-3
Name: 6-Methoxy-2-nitroso-2,3-dihydro-1H-inden-1-one
Article Data: 15
Molecular Structure:
Molecular Structure of 24077-98-3 (6-Methoxy-2-nitroso-2,3-dihydro-1H-inden-1-one)
Formula: C10H9NO3
Molecular Weight: 191.186
Synonyms: 1,2-Indandione,6-methoxy-, 2-oxime (8CI);6-Methoxy-2-(hydroxyimino)-1-indanone;NSC 338226;
Density: 1.35 g/cm3
Boiling Point: 397.1 °C at 760 mmHg
Flash Point: 193.9 °C
PSA: 58.89000
LogP: 1.26420
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Specification

The 1H-Indene-1,2(3H)-dione,6-methoxy-, 2-oxime, with the CAS registry number 24077-98-3, is also known as NSC338226. This chemical's molecular formula is C10H9NO3 and molecular weight is 191.18336. Its IUPAC name is called 2-hydroxyimino-6-methoxy-3H-inden-1-one.

Physical properties of 1H-Indene-1,2(3H)-dione,6-methoxy-, 2-oxime: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): 0.67; (3)ACD/LogD (pH 7.4): 0.5; (4)ACD/BCF (pH 5.5): 1.89; (5)ACD/BCF (pH 7.4): 1.29; (6)ACD/KOC (pH 5.5): 54.78; (7)ACD/KOC (pH 7.4): 37.33; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.617; (12)Molar Refractivity: 49.49 cm3; (13)Molar Volume: 141.4 cm3; (14)Surface Tension: 48.6 dyne/cm; (15)Density: 1.35 g/cm3; (16)Flash Point: 193.9 °C; (17)Enthalpy of Vaporization: 68.28 kJ/mol; (18)Boiling Point: 397.1 °C at 760 mmHg; (19)Vapour Pressure: 5.12E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC2=C(CC(=NO)C2=O)C=C1
(2)InChI: InChI=1S/C10H9NO3/c1-14-7-3-2-6-4-9(11-13)10(12)8(6)5-7/h2-3,5,13H,4H2,1H3
(3)InChIKey: BNMBBZNFBBNMDD-UHFFFAOYSA-N