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Cas Database |
| Name |
3-Oxoindane-1-carboxylic acid |
EINECS | N/A |
| CAS No. | 29427-69-8 | Density | 1.384 g/cm3 |
| PSA | 54.37000 | LogP | 1.44120 |
| Solubility | N/A | Melting Point |
111-113 °C(lit.) |
| Formula | C10H8O3 | Boiling Point | 365.01 °C at 760 mmHg |
| Molecular Weight | 176.172 | Flash Point | 188.737 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1-Indancarboxylicacid, 3-oxo- (6CI,7CI,8CI);(RS)-1-Carboxy-3-indanone;2,3-Dihydro-3-oxo-1H-indene-1-carboxylic acid;3-Oxo-1-indancarboxylicacid;NSC 225078; |
Article Data | 27 |
3-Oxoindane-1-carboxylic acid Chemical Properties
IUPAC Name: 3-Oxo-1,2-Dihydroindene-1-carboxylic acid
Following is the structure of 1H-Indene-1-carboxylicacid, 2,3-dihydro-3-oxo- (CAS NO.29427-69-8):
Empirical Formula: C10H8O3
Molecular Weight: 176.1687 g/mol
Index of Refraction: 1.619
Molar Refractivity: 44.66 cm3
Molar Volume: 127.2 cm3
Density: 1.384 g/cm3
Flash Point: 188.7 °C
Melting point 111-113 °C
Surface Tension: 62.5 dyne/cm
Enthalpy of Vaporization: 64.49 kJ/mol
Boiling Point: 365 °C at 760 mmHg
Vapour Pressure of 1H-Indene-1-carboxylicacid, 2,3-dihydro-3-oxo- (CAS NO.29427-69-8): 5.72E-06 mmHg at 25 °C
Product Categories of 1H-Indene-1-carboxylicacid, 2,3-dihydro-3-oxo- (CAS NO.29427-69-8): Benzocycles; pharmacetical; Carboxylic Acids; Miscellaneous; Carboxylic Acids; Fused Ring Systems; Pharmaceutical intermediate; C10; Carbonyl Compounds
Canonical SMILES: C1C(C2=CC=CC=C2C1=O)C(=O)O
InChI: InChI=1S/C10H8O3/c11-9-5-8(10(12)13)6-3-1-2-4-7(6)9/h1-4,8H,5H2,(H,12,13)
InChIKey: HXLJFMRZKCSTQD-UHFFFAOYSA-N
3-Oxoindane-1-carboxylic acid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1650mg/kg (1650mg/kg) | Indian Journal of Physiology and Pharmacology. Vol. 24, Pg. 310, 1980. |
3-Oxoindane-1-carboxylic acid Safety Profile
Hazard Codes: 
Xi
Risk Statements 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: NK8260000
Hazard Note: Irritant
3-Oxoindane-1-carboxylic acid Specification
1H-Indene-1-carboxylicacid, 2,3-dihydro-3-oxo- , its cas register number is 29427-69-8. It also can be called 2,3-Dihydro-3-oxo-1H-indene-1-carboxylic acid ; and 3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid . Its classification code is Drug / Therapeutic Agent.
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