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CAS No.: | 4382-53-0 |
---|---|
Name: | 5-BENZYLOXYINDOLE-3-ACETIC ACID |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C17H15NO3 |
Molecular Weight: | 281.311 |
Synonyms: | Indole-3-aceticacid, 5-(benzyloxy)- (6CI,7CI,8CI);(5-Benzyloxy-1H-indol-3-yl)acetic acid;2-(5-Benzyloxy-1H-indol-3-yl)acetic acid;NSC 68361; |
Density: | 1.314 g/cm3 |
Melting Point: | 147-149 °C(Solv: ethanol, 50% (64-17-5)) |
Boiling Point: | 533.199 °C at 760 mmHg |
Flash Point: | 276.269 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/38 |
Safety: | 26 |
PSA: | 62.32000 |
LogP: | 3.37400 |
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Molecular Structure of 5-Benzyloxyindole-3-acetic acid (CAS No.4382-53-0):
Molecular Formula: C17H15NO3
Molecular Weight: 281.3059
CAS No: 4382-53-0
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 40.46 Å2
Index of Refraction: 1.679
Molar Refractivity: 80.8 cm3
Molar Volume: 214 cm3
Surface Tension: 60.9 dyne/cm
Density: 1.314 g/cm3
Flash Point: 276.3 °C
Enthalpy of Vaporization: 85.17 kJ/mol
Boiling Point: 533.2 °C at 760 mmHg
Vapour Pressure: 3.37E-12 mmHg at 25°C
IUPAC Name: 2-(5-Phenylmethoxy-1H-indol-3-yl)acetic acid
InChI: InChI=1/C17H15NO3/c19-17(20)8-13-10-18-16-7-6-14(9-15(13)16)21-11-12-4-2-1-3-5-12/h1-7,9-10,18H,8,11H2,(H,19,20)
InChIKey: GKIOPUYLJUOZHJ-UHFFFAOYAL
Std. InChI: InChI=1S/C17H15NO3/c19-17(20)8-13-10-18-16-7-6-14(9-15(13)16)21-11-12-4-2-1-3-5-12/h1-7,9-10,18H,8,11H2,(H,19,20)
Std. InChIKey: GKIOPUYLJUOZHJ-UHFFFAOYSA-N
Product Categories: Indoles and derivatives;Heterocyclic Compounds;Building Blocks;Heterocyclic Building Blocks;Indoles
WGK Germany: 3
5-Benzyloxyindole-3-acetic acid (CAS No.4382-53-0), its synonyms are [5-(Benzyloxy)-1H-indol-3-yl]acetic acid ; 1H-indole-3-acetic acid, 5-(phenylmethoxy)- ; (5-Benzyloxy-1H-indol-3-yl)-acetic acid ; 1H-Indole-3-acetic acid, 5- (phenylmethoxy)- ; 2-(5-(Benzyloxy)-1H-indol-3-yl)acetic acid ; Indole-3-acetic acid, 5-(benzyloxy)- .