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7-Indolizinecarboxylicacid, methyl ester

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Name

7-Indolizinecarboxylicacid, methyl ester

EINECS N/A
CAS No. 887602-89-3 Density 1.16g/cm3
PSA 30.71000 LogP 1.72590
Solubility N/A Melting Point 102 °C
Formula C10H9NO2 Boiling Point N/A
Molecular Weight 175.187 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 887602-89-3 (methyl indolizine-7-carboxylate) Hazard Symbols N/A
Synonyms

methyl indolizine-7-carboxylate

 

7-Indolizinecarboxylicacid, methyl ester Specification

The 7-Indolizinecarboxylicacid, methyl ester, with CAS registry number 887602-89-3, has the systematic name of Methyl indolizine-7-carboxylate. Its molecular weight is 175.18396. And the chemical formula of this chemical is C10H9NO2.

Physical properties of 7-Indolizinecarboxylicacid, methyl ester: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.2; (6)ACD/BCF (pH 7.4): 44.2; (7)ACD/KOC (pH 5.5): 524.08; (8)ACD/KOC (pH 7.4): 524.09; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.71 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 49.54 cm3; (15)Molar Volume: 150.1 cm3; (16)Polarizability: 19.64×10-24cm3; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.16 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1ccn2cccc2c1
(2)InChI: InChI=1/C10H9NO2/c1-13-10(12)8-4-6-11-5-2-3-9(11)7-8/h2-7H,1H3
(3)InChIKey: BVQIGDNWKHPLOE-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H9NO2/c1-13-10(12)8-4-6-11-5-2-3-9(11)7-8/h2-7H,1H3
(5)Std. InChIKey: BVQIGDNWKHPLOE-UHFFFAOYSA-N

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