3RN

2-(hydroxymethyl)cyclopent-2-en-1-one

Created:	2011-05-02
Last modified:	2011-06-16

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2 entries where 3RN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

2D diagram of 3RN

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Chemical Component Summary
Name	2-(hydroxymethyl)cyclopent-2-en-1-one
Systematic Name (OpenEye OEToolkits)	2-(hydroxymethyl)cyclopent-2-en-1-one
Formula	C₆ H₈ O₂
Molecular Weight	112.127
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C(=CCC1)CO
SMILES	CACTVS	3.370	OCC1=CCCC1=O
SMILES	OpenEye OEToolkits	1.7.2	C1CC(=O)C(=C1)CO
Canonical SMILES	CACTVS	3.370	OCC1=CCCC1=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	C1CC(=O)C(=C1)CO
InChI	InChI	1.03	InChI=1S/C6H8O2/c7-4-5-2-1-3-6(5)8/h2,7H,1,3-4H2
InChIKey	InChI	1.03	DQTFESRTIZHRRO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	328561

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