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| CAS No.: | 21307-97-1 |
|---|---|
| Name: | (R)-2-Benzylsuccinic acid |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C11H12O4 |
| Molecular Weight: | 208.214 |
| Synonyms: | Butanedioicacid, (phenylmethyl)-, (2R)- (9CI);Butanedioic acid, (phenylmethyl)-, (R)-;Succinic acid, benzyl-, D-(+)- (8CI);(+)-a-Benzylsuccinic acid;(R)-2-(Phenylmethyl)butanedioicacid;(R)-2-Benzylsuccinic acid;(R)-Benzylsuccinic acid;2(R)-Benzyl-3-carboxypropionic acid;D-Benzylsuccinic acid; |
| Density: | 1.290g/cm3 |
| Boiling Point: | 331.4 °C at 760 mmHg |
| Flash Point: | 168.4 °C |
| PSA: | 74.60000 |
| LogP: | 1.40460 |
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- Total:37 Page 1 of 1 1
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Specification
The (R)-2-Benzylsuccinic acid, with CAS registry number (R)-2-Benzylsuccinic acid, has the systematic name of (2R)-2-benzylbutanedioic acid. Besides this, it is also called butanedioic acid, 2-(phenylmethyl)-, (2R)-. And the chemical formula of this chemical is C11H12O4.
Physical properties of (R)-2-Benzylsuccinic acid: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.53; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.567; (12)Molar Refractivity: 52.78 cm3; (13)Molar Volume: 161.3 cm3; (14)Polarizability: 20.92×10-24cm3; (15)Surface Tension: 57.3 dyne/cm; (16)Enthalpy of Vaporization: 60.6 kJ/mol; (17)Vapour Pressure: 6.23E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@H](C(=O)O)Cc1ccccc1
(2)InChI: InChI=1/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1
(3)InChIKey: GTOFKXZQQDSVFH-SECBINFHBG
(4)Std. InChI: InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1 CopyCopied
(5)Std. InChIKey: GTOFKXZQQDSVFH-SECBINFHSA-N