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

HCID 129094

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Basic information

CAS: 105701-67-5
Standard SMILES: O=C(O)C1Cc2o[nH]c(=O)c2CN1
InChIKey: SNHKWJJUUBOBAX-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-tetrahydroisoxazolo(4,5-c)pyridine-6-carboxylic acid
IUPAC: 3-oxo-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid
English name: 3-hydroxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine-6-carboxylic acid
Molecular weight: 0

Names & synonyms

105701-67-56-Hpca3-Hydroxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine-6-carboxylic acidRefChem:941483-oxo-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid3-Oxo-2,3,4,5,6,7-hexahydroisoxazolo[4,5-c]pyridine-6-carboxylic acidDTXSID409096843-Hydroxy-4,5,6,7-tetrahydro[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid

Database identifiers

CAS: 105701-67-5
PubChem CID: 129094
DTXSID: DTXSID40909684

Properties

Computed structural properties

XLogP: -3.5
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

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

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