NVU

2-(1,2-benzoxazol-3-yl)ethanoic acid

Created:	2013-01-28
Last modified:	2014-09-05

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4 entries where NVU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	10

2D diagram of NVU

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Chemical Component Summary
Name	2-(1,2-benzoxazol-3-yl)ethanoic acid
Systematic Name (OpenEye OEToolkits)	2-(1,2-benzoxazol-3-yl)ethanoic acid
Formula	C₉ H₇ N O₃
Molecular Weight	177.157
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)Cc2noc1ccccc12
SMILES	CACTVS	3.385	OC(=O)Cc1noc2ccccc12
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)c(no2)CC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)Cc1noc2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)c(no2)CC(=O)O
InChI	InChI	1.03	InChI=1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)
InChIKey	InChI	1.03	BVSIAYQIMUUCRW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	301729
ChEMBL	CHEMBL3792472
CCDC/CSD	LUYQED

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