3QM

[(2R)-2-nitrosopropyl]benzene

Created:	2014-10-08
Last modified:	2021-03-01

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1 entries where 3QM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	6

2D diagram of 3QM

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Chemical Component Summary
Name	[(2R)-2-nitrosopropyl]benzene
Synonyms	2-nitroso-1-phenylpropane
Systematic Name (OpenEye OEToolkits)	[(2R)-2-nitrosopropyl]benzene
Formula	C₉ H₁₁ N O
Molecular Weight	149.19
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=NC(Cc1ccccc1)C
SMILES	CACTVS	3.385	C[CH](Cc1ccccc1)N=O
SMILES	OpenEye OEToolkits	1.9.2	CC(Cc1ccccc1)N=O
Canonical SMILES	CACTVS	3.385	C[C@H](Cc1ccccc1)N=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	C[C@H](Cc1ccccc1)N=O
InChI	InChI	1.03	InChI=1S/C9H11NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1
InChIKey	InChI	1.03	JNWJQOCPCZKSQI-MRVPVSSYSA-N

Related Resource References

Resource Name	Reference
PubChem	53965423

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.