(R)-3-Methylhexanedioic acid supplier

Name
(R)-3-METHYLHEXANEDIOIC ACID
EINECS
CAS No. 81177-02-8
Article Data123
CAS DataBase
Density 1.197g/cm³
Solubility
Melting Point 97°C
Formula C₇H₁₂O₄
Boiling Point 341.4 °C at 760 mmHg
Molecular Weight 160.17
Flash Point 170.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-3-Methylhexanedioic acid;
PSA 74.60000
LogP 0.96200

(R)-3-Methylhexanedioic acid Specification

The (R)-3-Methylhexanedioic acid, with cas registry number 81177-02-8, has the systematic name of (3R)-3-methylhexanedioic acid. And it is also called hexanedioic acid, 3-methyl-, (3R)-.

Physical properties about this chemical are: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.24; (4)ACD/LogD (pH 7.4): -4.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 37.56 cm³; (15)Molar Volume: 133.7 cm³; (16)Polarizability: 14.89×10^-24cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Enthalpy of Vaporization: 64.29 kJ/mol; (19)Vapour Pressure: 1.47E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC[C@H](CC(=O)O)C
(2)InChI: InChI=1/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/t5-/m1/s1
(3)InChIKey: SYEOWUNSTUDKGM-RXMQYKEDBU
(4)Std. InChI: InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/t5-/m1/s1
(5)Std. InChIKey: SYEOWUNSTUDKGM-RXMQYKEDSA-N

Product Name

(R)-3-METHYLHEXANEDIOIC ACID

(R)-3-Methylhexanedioic acid Specification

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