Name: 7-METHOXY-2H-CHROMENE-3-CARBALDEHYDE
SKU: 57543-39-2

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Basic Information

Molecular Structure:
CAS No.:	57543-39-2
Name:	7-METHOXY-2H-CHROMENE-3-CARBALDEHYDE

Formula:	C₁₁H₁₀O₃
Molecular Weight:	190.199
Synonyms:	7-Methoxy-2h-chromene-3-carbaldehyde;7-methoxy-2h-1-benzopyran-3-carboxaldehyd;7-Methoxy-2H-1-benzopyran-3-carbaldehyde;
Density:	1.275 g/cm³
Boiling Point:	338.7 °C at 760 mmHg
Flash Point:	149.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	35.53000
LogP:	1.66990

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Specification

The CAS register number of 2H-1-Benzopyran-3-carboxaldehyde,7-methoxy- is 57543-39-2. It also can be called as 7-Methoxy-2H-1-benzopyran-3-carbaldehyde and the IUPAC name about this chemical is 7-methoxy-2H-chromene-3-carbaldehyde. The molecular formula about this chemical is C₁₁H₁₀O₃ and the molecular weight is 190.2. This chemical is irritant.

Physical properties about 2H-1-Benzopyran-3-carboxaldehyde,7-methoxy- are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 2.21; (3)ACD/LogD (pH 7.4): 2.21; (4)ACD/BCF (pH 5.5): 28.16; (5)ACD/BCF (pH 7.4): 28.16; (6)ACD/KOC (pH 5.5): 379.52; (7)ACD/KOC (pH 7.4): 379.52; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 52.91 cm³; (13)Molar Volume: 149.1 cm³; (14)Polarizability: 20.97x10^-24cm³; (15)Surface Tension: 53.9 dyne/cm; (16)Density: 1.275 g/cm³; (17)Flash Point: 149.8 °C; (18)Enthalpy of Vaporization: 58.21 kJ/mol; (19)Boiling Point: 338.7 °C at 760 mmHg; (20)Vapour Pressure: 9.66E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C1=C\c2c(OC1)cc(OC)cc2
(2)InChI: InChI=1/C11H10O3/c1-13-10-3-2-9-4-8(6-12)7-14-11(9)5-10/h2-6H,7H2,1H3
(3)InChIKey: ODUYMNRQOUHOBN-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C11H10O3/c1-13-10-3-2-9-4-8(6-12)7-14-11(9)5-10/h2-6H,7H2,1H3
(5)Std. InChIKey: ODUYMNRQOUHOBN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	600mg/kg (600mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 81, 1976.