XEM

1-nitrosopropane

Created:	2020-12-14
Last modified:	2023-01-11

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2 entries where XEM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	12
Chiral Atom Count	0
Bond Count	11
Aromatic Bond Count	0

2D diagram of XEM

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Chemical Component Summary
Name	1-nitrosopropane
Systematic Name (OpenEye OEToolkits)	1-nitrosopropane
Formula	C₃ H₇ N O
Molecular Weight	73.094
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCCN=O
SMILES	CACTVS	3.385	CCCN=O
SMILES	OpenEye OEToolkits	2.0.7	CCCN=O
Canonical SMILES	CACTVS	3.385	CCCN=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCN=O
InChI	InChI	1.03	InChI=1S/C3H7NO/c1-2-3-4-5/h2-3H2,1H3
InChIKey	InChI	1.03	DAGJBILJINSVOD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	53749742

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