CAS No.51939-71-0,CHROMANE-2-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51939-71-0
Name:	CHROMANE-2-CARBOXYLIC ACID
Article Data:	1

Formula:	C₁₀H₁₀O₃
Molecular Weight:	178.188
Synonyms:	2-Chromancarboxylicacid (6CI);(?à)-2-Chromancarboxylicacid;3,4-Dihydro-1-benzopyran-2-carboxylic acid;3,4-Dihydro-2H-1-benzopyran-2-carboxylicacid;
Density:	1.276g/cm³
Melting Point:	99 °C
Boiling Point:	356.1 °C at 760 mmHg
Flash Point:	146.9 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	46.53000
LogP:	1.46480

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Specification

The 2H-1-Benzopyran-2-carboxylicacid, 3,4-dihydro-, with CAS registry number 51939-71-0, belongs to the following product categories: (1)Heterocycles series; (2)Carboxylic Acids; (3)Carboxylic Acids; (4)Fused Ring Systems. It has the systematic name of 3,4-dihydro-2H-chromene-2-carboxylic acid. And the chemical formula of this chemical is C₁₀H₁₀O₃.

Physical properties of 2H-1-Benzopyran-2-carboxylicacid, 3,4-dihydro-: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): -1.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.06; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 46.13 cm³; (15)Molar Volume: 139.5 cm³; (16)Polarizability: 18.29×10^-24cm³; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.276 g/cm³; (19)Flash Point: 146.9 °C; (20)Enthalpy of Vaporization: 63.45 kJ/mol; (21)Boiling Point: 356.1 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C2Oc1ccccc1CC2
(2)InChI: InChI=1/C10H10O3/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2,(H,11,12)
(3)InChIKey: SFLFCQJQOIZMHF-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H10O3/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2,(H,11,12)
(5)Std. InChIKey: SFLFCQJQOIZMHF-UHFFFAOYSA-N