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300552-38-9

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Basic Information
CAS No.: 300552-38-9
Name: SPIRO[2H-1-BENZOPYRAN-2,4'-PIPERIDIN]-4(3H)-ONE, 6-CHLORO-, HYDROCHLORIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 300552-38-9 (SPIRO[2H-1-BENZOPYRAN-2,4'-PIPERIDIN]-4(3H)-ONE, 6-CHLORO-, HYDROCHLORIDE)
Formula: C13H15Cl2NO2
Molecular Weight: 288.174
Synonyms: Spiro[2H-1-benzopyran-2,4'-piperidin]-4(3H)-one,6-chloro-, hydrochloride (9CI);6-Chlorospiro[chromene-2,4'-piperidin]-4(3H)-one hydrochloride;
Density: 1.32g/cm3
Boiling Point: 448.4 °C at 760 mmHg
Flash Point: 225 °C
PSA: 38.33000
LogP: 2.75620
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Specification

The Spiro[2H-1-benzopyran-2,4'-piperidin]-4(3H)-one,6-chloro-, hydrochloride (1:1), with the CAS registry number 300552-38-9, is also known as 6-Chlorospiro[chromene-2,4'-piperidin]-4(3H)-one hydrochloride. This chemical's molecular formula is C13H15Cl2NO2 and molecular weight is 288.1697. Its systematic name is called 6-chlorospiro[chromene-2,4'-piperidin]-4(3H)-one hydrochloride (1:1).

Physical properties of Spiro[2H-1-benzopyran-2,4'-piperidin]-4(3H)-one,6-chloro-, hydrochloride (1:1): (1)ACD/LogP: 3.24; (2)ACD/LogD (pH 7.4): 1; (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): 5; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)Flash Point: 225 °C; (10)Enthalpy of Vaporization: 72.05 kJ/mol; (11)Boiling Point: 448.4 °C at 760 mmHg; (12)Vapour Pressure: 1.91E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Clc1cc3c(cc1)OC2(CCNCC2)CC3=O
(2)InChI: InChI=1/C13H14ClNO2.ClH/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13;/h1-2,7,15H,3-6,8H2;1H
(3)InChIKey: SHMRWZNLGYJXLG-UHFFFAOYAV