3-Benzofurancarboxylicacid, 4,5,6,7-tetrahydro-4-oxo- supplier

Name
4-OXO-4,5,6,7-TETRAHYDROBENZO[B]FURAN-3-CARBOXYLIC ACID
EINECS
CAS No. 56671-28-4
Article Data10
CAS DataBase
Density 1.406 g/cm³
Solubility
Melting Point 140 °C
Formula C₉H₈O₄
Boiling Point 383.5 °C at 760 mmHg
Molecular Weight 180.16
Flash Point 185.7 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols C
Synonyms 4,5,6,7-Tetrahydro-4-oxo-3-benzofurancarboxylicacid;4-Oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid;4-Oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylic acid;4-Oxo-4,5,6,7-tetrahydrocoumarone-3-carboxylic acid;
PSA 67.51000
LogP 1.49680

3-Benzofurancarboxylicacid, 4,5,6,7-tetrahydro-4-oxo- Specification

The CAS register number of 3-Benzofurancarboxylicacid, 4,5,6,7-tetrahydro-4-oxo- is 56671-28-4. It also can be called as 4,5,6,7-Tetrahydro-4-oxo-3-benzofurancarboxylicacid and the systematic name about this chemical is 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid. The molecular formula about this chemical is C₉H₈O₄ and the molecular weight is 180.16.

Physical properties about 3-Benzofurancarboxylicacid, 4,5,6,7-tetrahydro-4-oxo- are: (1)ACD/LogP: 0.88; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.27; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 56.51Å²; (10)Index of Refraction: 1.576; (11)Molar Refractivity: 42.39 cm³; (12)Molar Volume: 128 cm³; (13)Polarizability: 16.8x10^-24cm³; (14)Surface Tension: 57.9 dyne/cm; (15)Enthalpy of Vaporization: 66.67 kJ/mol; (16)Boiling Point: 383.5 °C at 760 mmHg; (17)Vapour Pressure: 1.44E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(occ1C(=O)O)CCC2
(2)InChI: InChI=1/C9H8O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h4H,1-3H2,(H,11,12)
(3)InChIKey: FABBWECRHZNMDQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H8O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h4H,1-3H2,(H,11,12)
(5)Std. InChIKey: FABBWECRHZNMDQ-UHFFFAOYSA-N

Product Name

4-OXO-4,5,6,7-TETRAHYDROBENZO[B]FURAN-3-CARBOXYLIC ACID

3-Benzofurancarboxylicacid, 4,5,6,7-tetrahydro-4-oxo- Specification

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