3-Chromanone supplier | CasNO.19090-04-1

Name
3-Chromanone
EINECS
CAS No. 19090-04-1
Article Data1
CAS DataBase
Density 1.197 g/cm³
Solubility
Melting Point
Formula C₉H₈O₂
Boiling Point 281.452 °C at 760 mmHg
Molecular Weight 148.161
Flash Point 136.065 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chromanone(7CI,8CI);
PSA 26.30000
LogP 1.19060

3-Chromanone Specification

The 3-Chromanone with the CAS number 19090-04-1 is also called 2H-1-Benzopyran-3(4H)-one. The systematic name is 2H-chromen-3(4H)-one. Its molecular formula is C₉H₈O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 91; (8)ACD/KOC (pH 7.4): 91; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 40.163 cm³; (15)Molar Volume: 123.804 cm³; (16)Polarizability: 15.922×10^-24cm³; (17)Surface Tension: 43.546 dyne/cm; (18)Enthalpy of Vaporization: 52.025 kJ/mol; (19)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1Cc2c(OC1)cccc2
(2)InChI: InChI=1/C9H8O2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4H,5-6H2
(3)InChIKey: SHHLMGCHMMCOOS-UHFFFAOYAD

Product Name

3-Chromanone

3-Chromanone Specification

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