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CAS No.: | 1049980-13-3 |
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Name: | (3S,4R)-4-(3,5-Dimethoxyphenyl)pyrrolidine-3-carboxylic acid |
Molecular Structure: | |
Formula: | C13H17NO4 |
Molecular Weight: | 251.27800 |
Synonyms: | (3S,4R)-4-(3,5-DIMETHOXYPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID;3-Pyrrolidinecarboxylic acid, 4-(3,5-dimethoxyphenyl)-, (3S,4R)- |
PSA: | 67.79000 |
LogP: | 1.42020 |
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Molecule structure of (3S,4R)-4-(3,5-Dimethoxyphenyl)pyrrolidine-3-carboxylic acid (CAS NO.1049980-13-3):
Molecular Formula: C13H17NO4
Molecular Weight: 251.28 g/mol
Density: 1.201 g/cm3
Boiling Point: 441.7 °C at 760 mmHg
Flash Point: 220.9 °C
Index of Refraction: 1.54
Molar Refractivity: 65.7 cm3
Molar Volume: 209.1 cm3
Polarizability: 26.04×10-24 cm3
Surface Tension: 43.7 dyne/cm
Enthalpy of Vaporization: 73.67 kJ/mol
Vapour Pressure: 1.4E-08 mmHg at 25 °C
InChI: InChI=1/C13H17NO4/c1-17-9-3-8(4-10(5-9)18-2)11-6-14-7-12(11)13(15)16/h3-5,11-12,14H,6-7H2,1-2H3,H,15,16)/t11-,12+/m0/s1
InChIKey: FBFGHGLKHHVFCD-NWDGAFQWBL
Std. InChI: InChI=1S/C13H17NO4/c1-17-9-3-8(4-10(5-9)18-2)11-6-14-7-12(11)13(15)16/h3-5,11-12,14H,6-7H2,1-H3,(H,15,16)/t11-,12+/m0/s1
Std. InChIKey of (3S,4R)-4-(3,5-Dimethoxyphenyl)pyrrolidine-3-carboxylic acid (CAS NO.1049980-13-3): FBFGHGLKHHVFCD-NWDGAFQWSA-N
(3S,4R)-4-(3,5-Dimethoxyphenyl)pyrrolidine-3-carboxylic acid (CAS NO.1049980-13-3) is also named as 3-pyrrolidinecarboxylic acid, 4-(3,5-dimethoxyphenyl)-, (3S,4R)- .