-
Name
3-naphthalen-2-ylpropanoic acid
- EINECS
- CAS No. 21658-35-5
- Article Data3
- CAS DataBase
- Density 1.195 g/cm3
- Solubility
- Melting Point 134-135 °C(Solv: ethanol (64-17-5))
- Formula C13H12O2
- Boiling Point 382.339 °C at 760 mmHg
- Molecular Weight 200.237
- Flash Point 279.199 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-(2-Naphthyl)propanoic acid;
- PSA 37.30000
- LogP 2.85700
2-Naphthalenepropanoicacid Specification
The 2-Naphthalenepropanoicacid, with the CAS registry number of 21658-35-5, is also known as 3-(2-Naphthyl)propanoic acid. This chemical's molecular formula is C13H12O2 and molecular weight is 200.23. What's more, its IUPAC name is 3-(Naphthalen-2-yl)propanoic acid.
Physical properties about the 2-Naphthalenepropanoicacid are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.311; (4)ACD/BCF (pH 5.5): 3.404; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 44.176; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 59.842 cm3; (14)Molar Volume: 167.499 cm3; (15)Surface Tension: 51.764 dyne/cm; (16)Density: 1.195 g/cm3; (17)Flash Point: 279.199 °C; (18)Enthalpy of Vaporization: 66.531 kJ/mol; (19)Boiling Point: 382.339 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc2cc(ccc2c1)CCC(=O)O
(2) InChI: InChI=1/C13H12O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-5,7,9H,6,8H2,(H,14,15)
(3) InChIKey: IZOYTDIICIICBE-UHFFFAOYAB
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