Name: 2-Azabicyclo[3.3.0]octane-3-carboxylic acid
SKU: 109428-53-7

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Basic Information

Molecular Structure:
CAS No.:	109428-53-7
Name:	2-Azabicyclo[3.3.0]octane-3-carboxylic acid
Article Data:	5

Formula:	C₈H₁₃NO₂
Molecular Weight:	155.197
Synonyms:	Cyclopenta[b]pyrrole-2-carboxylicacid, octahydro-, [2S-(2a,3ab,6ab)]-;(2S,3AS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylicacid;
Density:	1.183 g/cm³
Boiling Point:	304.333 °C at 760 mmHg
Flash Point:	137.856 °C
PSA:	49.33000
LogP:	0.93040

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Specification

The CAS register number of 2-Azabicyclo[3.3.0]octane-3-carboxylic acid is 109428-53-7. It also can be called as Cyclopenta[b]pyrrole-2-carboxylicacid, octahydro-, (2S,3aS,6aS)- and the IUPAC name about this chemical is (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylic acid. It belongs to the following product categories, such as Carboxylicacid, Pyrrole and so on.

Physical properties about 2-Azabicyclo[3.3.0]octane-3-carboxylic acid are: (1)ACD/LogP: 1.07; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 49.33Å²; (10)Index of Refraction: 1.518; (11)Molar Refractivity: 39.79 cm³; (12)Molar Volume: 131.233 cm³; (13)Polarizability: 15.774x10^-24cm³; (14)Surface Tension: 42.805 dyne/cm; (15)Enthalpy of Vaporization: 59.909 kJ/mol; (16)Boiling Point: 304.333 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1NC2CCCC2C1
(2)InChI: InChI=1/C8H13NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h5-7,9H,1-4H2,(H,10,11)
(3)InChIKey: OQHKEWIEKYQINX-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H13NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h5-7,9H,1-4H2,(H,10,11)
(5)Std. InChIKey: OQHKEWIEKYQINX-UHFFFAOYSA-N