CAS No.2532-58-3,CIS-1,3-DIMETHYLCYCLOPENTANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2532-58-3
Name:	CIS-1,3-DIMETHYLCYCLOPENTANE
Article Data:	19

Formula:	C₇H₁₄
Molecular Weight:	98.1882
Synonyms:	Cyclopentane,1,3-dimethyl-, cis- (8CI);cis-1,3-Dimethylcyclopentane;
EINECS:	219-793-1
Density:	0.762 g/cm³
Melting Point:	-133.7°C
Boiling Point:	90.8 °C at 760 mmHg
Flash Point:	-5 °C
PSA:	0.00000
LogP:	2.44250

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Specification

The Cyclopentane,1,3-dimethyl-, (1R,3S)-rel-, with the CAS registry number 2532-58-3, is also known as Cyclopentane,1,3-dimethyl-, cis- (8CI) and cis-1,3-Dimethylcyclopentane. This chemical's molecular formula is C₇H₁₄ and molecular weight is 98.1861. What's more, its systematic name is (1R,3S)-1,3-Dimethylcyclopentane.

Physical properties about Cyclopentane,1,3-dimethyl-, (1R,3S)-rel- are: (1) ACD/LogP: 3.81; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.81; (4) ACD/LogD (pH 7.4): 3.81; (5) ACD/BCF (pH 5.5): 459.43; (6) ACD/BCF (pH 7.4): 459.43; (7) ACD/KOC (pH 5.5): 2800.42; (8) ACD/KOC (pH 7.4): 2800.42; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 0 Å²; (13) Index of Refraction: 1.418; (14) Molar Refractivity: 32.47 cm³; (15) Molar Volume: 128.6 cm³; (16) Polarizability: 12.87×10^-24 cm³; (17) Surface Tension: 22 dyne/cm; (18) Density: 0.762 g/cm³; (19) Enthalpy of Vaporization: 30.4 kJ/mol; (20) Boiling Point: 90.8 °C at 760 mmHg; (21) Vapour Pressure: 62.6 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C[C@H]1CC[C@@H](C)C1
(2) InChI: InChI=1/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7+
(3) InChIKey: XAZKFISIRYLAEE-KNVOCYPGBY