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39897-19-3

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Basic Information
CAS No.: 39897-19-3
Name: N-[(vinyloxy)carbonyl]-L-tryptophan
Molecular Structure:
Molecular Structure of 39897-19-3 (N-[(vinyloxy)carbonyl]-L-tryptophan)
Formula: C14H14N2O4
Molecular Weight: 274.276
Synonyms: N-[(Vinyloxy)carbonyl]-L-tryptophan;
EINECS: 254-684-2
Density: 1.35 g/cm3
Boiling Point: 511.5 °C at 760 mmHg
Flash Point: 263.2 °C
PSA: 94.91000
LogP: 2.23770
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Specification

The L-Tryptophan,N-[(ethenyloxy)carbonyl]-, with the CAS registry number of 39897-19-3, is also known as N-[(Vinyloxy)carbonyl]-L-tryptophan. Its EINECS registry number is 254-684-2. Its molecular formula is C14H14N2O4 and molecular weight is 274.27196. What's more, its systematic name is (2S)-2-(Ethenoxycarbonylamino)-3-(1H-indol-3-yl)propanoic acid.

Physical properties about the L-Tryptophan,N-[(ethenyloxy)carbonyl]- are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.12; (5)#H bond acceptors: 6; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 91.42 Å2; (9)Index of Refraction: 1.64; (10)Molar Refractivity: 73.22 cm3; (11)Molar Volume: 203.1 cm3; (12)Surface Tension: 60.8 dyne/cm; (13)Density: 1.35 g/cm3; (14)Flash Point: 263.2 °C; (15)Enthalpy of Vaporization: 82.39 kJ/mol; (16)Boiling Point: 511.5 °C at 760 mmHg; (17)Vapour Pressure: 2.75E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)[C@@H](NC(=O)OC=C)Cc2cnc1ccccc12
(2) InChI: InChI=1/C14H14N2O4/c1-2-20-14(19)16-12(13(17)18)7-9-8-15-11-6-4-3-5-10(9)11/h2-6,8,12,15H,1,7H2,(H,16,19)(H,17,18)/t12-/m0/s1
(3) InChIKey: ZYSDNTTYVOJEHJ-LBPRGKRZBT