A0V

1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid

Created:	2017-07-05
Last modified:	2024-09-27

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1 entries where A0V is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	5

2D diagram of A0V

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Chemical Component Summary
Name	1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	1-[[oxidanyl(phosphonooxy)boranyl]methyl]-1,2,3-triazole-4-carboxylic acid
Formula	C₄ H₇ B N₃ O₇ P
Molecular Weight	250.899
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(B(OP(O)(O)=O)O)n1nnc(c1)C(O)=O
SMILES	CACTVS	3.385	OB(Cn1cc(nn1)C(O)=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.6	B(Cn1cc(nn1)C(=O)O)(O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.385	OB(Cn1cc(nn1)C(O)=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	B(Cn1cc(nn1)C(=O)O)(O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C4H7BN3O7P/c9-4(10)3-1-8(7-6-3)2-5(11)15-16(12,13)14/h1,11H,2H2,(H,9,10)(H2,12,13,14)
InChIKey	InChI	1.03	AEBNZGMSDDIREX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137348883

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