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Hexanedioic acid, 3-methyl-, (3R)-

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Name

Hexanedioic acid, 3-methyl-, (3R)-

EINECS 210-816-0
CAS No. 623-82-5 Density 1.197 g/cm3
PSA 74.60000 LogP 0.96200
Solubility N/A Melting Point 81-84 °C(lit.)
Formula C7H12O4 Boiling Point 341.4 °C at 760 mmHg
Molecular Weight 160.17 Flash Point 170.6 °C
Transport Information N/A Appearance white to light yellow powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 623-82-5 ((+)-3-METHYLHEXANEDIOIC ACID) Hazard Symbols IrritantXi
Synonyms

Hexanedioicacid, 3-methyl-, (R)-;Hexanedioic acid, 3-methyl-, (R)-(+)- (8CI);(+)-3-Methyladipic acid;(R)-(+)-3-Methyladipic acid;(R)-3-Methyl-1,6-hexanedioic acid;(R)-3-Methyladipic acid;R-(+)-3-Methyladipic acid;

Article Data 28

Hexanedioic acid, 3-methyl-, (3R)- Specification

This chemical is called Hexanedioic acid, 3-methyl-, (3R)-, and its CAS registry number is 160.17. With the molecular formula of C7H12O4, its molecular weight is 160.17. 

Other characteristics of the Hexanedioic acid, 3-methyl-, (3R)- can be summarised as followings: (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)Density: 1.197 g/cm3; (19)Flash Point: 170.6 °C; (20)Enthalpy of Vaporization: 64.29 kJ/mol; (21)Boiling Point: 341.4 °C at 760 mmHg; (22)Vapour Pressure: 1.47E-05 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. You should wear suitable protective clothing if you use it. In case of contacting 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=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

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