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88282-10-4

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Basic Information
CAS No.: 88282-10-4
Name: 1,3-Benzodioxole-5-propanoicacid,b-hydroxy-a-[[(phenylmethoxy)carbonyl
Article Data: 3
Molecular Structure:
Molecular Structure of 88282-10-4 (1,3-Benzodioxole-5-propanoicacid,b-hydroxy-a-[[(phenylmethoxy)carbonyl)
Formula: C18H17NO7
Molecular Weight: 359.335
Synonyms: 3-Benzo[1,3]dioxol-5-yl-2-benzyloxycarbonylamino-3-hydroxy-propionic acid;
Density: 1.441 g/cm3
Boiling Point: 614.4 °C at 760 mmHg
Flash Point: 325.4 °C
PSA: 114.32000
LogP: 2.21920
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Specification

The 3-(1,3-Benzodioxol-5-yl)-N-[(benzyloxy)carbonyl]serine is an organic compound with the formula C18H17NO7. The systematic name of this chemical is 3-(1,3-benzodioxol-5-yl)-N-[(benzyloxy)carbonyl]serine. With the CAS registry number 88282-10-4, it is also named as 3-Benzo[1,3]dioxol-5-yl-2-benzyloxycarbonylamino-3-hydroxy-propionic acid.

Physical properties about 3-(1,3-Benzodioxol-5-yl)-N-[(benzyloxy)carbonyl]serine are: (1)ACD/LogP: 2.73; (2)ACD/LogD (pH 5.5): 0.17; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.99; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 114.32 Å2; (11)Index of Refraction: 1.631; (12)Molar Refractivity: 88.78 cm3; (13)Molar Volume: 249.2 cm3; (14)Polarizability: 35.19×10-24cm3; (15)Surface Tension: 68.9 dyne/cm; (16)Density: 1.441 g/cm3; (17)Flash Point: 325.4 °C; (18)Enthalpy of Vaporization: 95.85 kJ/mol; (19)Boiling Point: 614.4 °C at 760 mmHg; (20)Vapour Pressure: 5.96E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C(NC(=O)OCc1ccccc1)C(O)c2ccc3OCOc3c2
(2)InChI: InChI=1/C18H17NO7/c20-16(12-6-7-13-14(8-12)26-10-25-13)15(17(21)22)19-18(23)24-9-11-4-2-1-3-5-11/h1-8,15-16,20H,9-10H2,(H,19,23)(H,21,22)
(3)InChIKey: PHFXRWNRHDASFI-UHFFFAOYAX