3-Hydroxy-4,5,6,7-tetrahydro-isoxazolo(4,5-c)pyridine-4-carboxylic acid

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Basic information

CAS: 105701-66-4
Standard SMILES: O=C(O)C1NCCc2o[nH]c(=O)c21
InChIKey: DBCBPNMITMFFKO-UHFFFAOYSA-N
Molecular formula: C7H8N2O4
Average molar mass: 184.15 g/mol
Monoisotopic mass: 184.04840674

Overview

structure given in first source

Names & identifiers

Preferred name: 3-Hydroxy-4,5,6,7-tetrahydro-isoxazolo(4,5-c)pyridine-4-carboxylic acid
IUPAC: 3-oxo-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-4-carboxylic acid
English name: 3-hydroxy-4,5,6,7-tetrahydro-isoxazolo(4,5-c)pyridine-4-carboxylic acid
Molecular weight: 0

Names & synonyms

105701-66-44-Hpca3-Hydroxy-4,5,6,7-tetrahydro-isoxazolo(4,5-c)pyridine-4-carboxylic acidRefChem:941473-oxo-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-4-carboxylic acid3-Oxo-2,3,4,5,6,7-hexahydroisoxazolo[4,5-c]pyridine-4-carboxylic acid5-HPCASCHEMBL13319918SCHEMBL29652611BDBM81879DTXSID80909683CAS_129091

Show more names

NSC_129091PD0937013-Hydroxy-4,5,6,7-tetrahydro[1,2]oxazolo[4,5-c]pyridine-4-carboxylic acidIsoxazolo(4,5-c)pyridine-4-carboxylic acid, 2,3,4,5,6,7-hexahydro-3-oxo-, (+-)-

Database identifiers

CAS: 105701-66-4
PubChem CID: 129091
DTXSID: DTXSID80909683
Nikkaji: J419.566C

Properties

Computed structural properties

XLogP: -3.3
Topological polar surface area: 87.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 310

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Compound notes

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