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1-Naphthaleneaceticacid, decahydro-

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Name

1-Naphthaleneaceticacid, decahydro-

EINECS
CAS No. 34681-29-3 Density 1.029 g/cm3
Solubility Melting Point
Formula C12H20O2 Boiling Point 317.5 °C at 760 mmHg
Molecular Weight 196.286 Flash Point 157.6 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 34681-29-3 (1-Naphthaleneaceticacid, decahydro-) Hazard Symbols
Synonyms

(DECAHYDRO-NAPHTHALEN-1-YL)-ACETIC ACID;cis-(Decahydro-naphthalen-1-yl)-acetic acid

 

1-Naphthaleneaceticacid, decahydro- Specification

The CAS registry number of 1-Naphthaleneaceticacid, decahydro- is 34681-29-3. This chemical belongs to the product category of Pharmacetical. This chemical's molecular formula is C12H20O2 and molecular weight is 196.286. What's more, its systematic name is called Decahydronaphthalen-1-ylacetic acid.

Physical properties about 1-Naphthaleneaceticacid, decahydro- are: (1)ACD/LogP: 3.85; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 67.1; (6)ACD/BCF (pH 7.4): 1.06; (7)ACD/KOC (pH 5.5): 399.63; (8)ACD/KOC (pH 7.4): 6.32; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 55.06 cm3; (15)Molar Volume: 190.6 cm3; (16)Polarizability: 21.82×10-24 cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.029 g/cm3; (19)Flash Point: 157.6 °C; (20)Enthalpy of Vaporization: 61.46 kJ/mol; (21)Boiling Point: 317.5 °C at 760 mmHg; (22)Vapour Pressure: 8.12E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC1CCCC2CCCCC12
(2) InChI: InChI=1/C12H20O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h9-11H,1-8H2,(H,13,14)
(3) InChIKey: LZILGJHQBKWXGQ-UHFFFAOYAG

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