Name: 1-Indanecarboxylic acid
SKU: 14381-42-1

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Basic Information

Molecular Structure:
CAS No.:	14381-42-1
Name:	1-Indanecarboxylic acid
Article Data:	43

Formula:	C₁₀H₁₀O₂
Molecular Weight:	162.188
Synonyms:	NSC 55335;1-Indancarboxylicacid (6CI,7CI,8CI);Indane-1-carboxylic acid;
EINECS:	238-355-0
Density:	1.24 g/cm³
Melting Point:	59-60 °C
Boiling Point:	324.6 °C at 760 mmHg
Flash Point:	147.2 °C
PSA:	37.30000
LogP:	1.80100

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Specification

The 1H-Indene-1-carboxylicacid, 2,3-dihydro-, with the CAS registry number 14381-42-1, is also known as 1-Indancarboxylic acid. Its EINECS registry number is 238-355-0. This chemical's molecular formula is C₁₀H₁₀O₂ and molecular weight is 162.1852. Its IUPAC name is called 2,3-dihydro-1H-indene-1-carboxylic acid. What's more, this chemical's classification code is Drug / Therapeutic Agent.

Physical properties of 1H-Indene-1-carboxylicacid, 2,3-dihydro-: (1)ACD/LogP: 1.79; (2)ACD/LogD (pH 5.5): 0.5; (3)ACD/LogD (pH 7.4): -1.28; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.42; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 44.53 cm³; (13)Molar Volume: 130.7 cm³; (14)Surface Tension: 52.9 dyne/cm; (15)Density: 1.24 g/cm³; (16)Flash Point: 147.2 °C; (17)Enthalpy of Vaporization: 59.82 kJ/mol; (18)Boiling Point: 324.6 °C at 760 mmHg; (19)Vapour Pressure: 9.91E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC2=CC=CC=C2C1C(=O)O
(2)InChI: InChI=1S/C10H10O2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2,(H,11,12)
(3)InChIKey: JBQMFBWTKWOSQX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1250mg/kg (1250mg/kg)		Indian Journal of Physiology and Pharmacology. Vol. 24, Pg. 310, 1980.