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CAS No.: | 3672-41-1 |
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Name: | 2-PHENYL-INDOLIZINE-3-CARBALDEHYDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C15H11NO |
Molecular Weight: | 221.2539 |
Synonyms: | 2-phenylindolizine-3-carbaldehyde;3-indolizinecarboxaldehyde, 2-phenyl-;2-phenyl-3-indolizinecarbaldehyde; |
Density: | 1.12 g/cm3 |
PSA: | 21.48000 |
LogP: | 3.41880 |
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The 3-Indolizinecarboxaldehyde,2-phenyl-, with the CAS registry number 3672-41-1, has the systematic name of 2-phenylindolizine-3-carbaldehyde. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C15H11NO.
The characteristics of 3-Indolizinecarboxaldehyde,2-phenyl- are as followings: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 21.48 Å2; (7)Index of Refraction: 1.617; (8)Molar Refractivity: 68.83 cm3; (9)Molar Volume: 196.6 cm3; (10)Polarizability: 27.28×10-24cm3; (11)Surface Tension: 44.8 dyne/cm; (12)Density: 1.12 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1c(cc2ccccn12)c3ccccc3
(2)InChI: InChI=1/C15H11NO/c17-11-15-14(12-6-2-1-3-7-12)10-13-8-4-5-9-16(13)15/h1-11H
(3)InChIKey: HXCCGUNEMZFUFU-UHFFFAOYAF