3HY

3-(hydroxymethyl)phenol

Created:	2013-10-03
Last modified:	2013-10-23

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1 entries where 3HY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of 3HY

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Chemical Component Summary
Name	3-(hydroxymethyl)phenol
Systematic Name (OpenEye OEToolkits)	3-(hydroxymethyl)phenol
Formula	C₇ H₈ O₂
Molecular Weight	124.137
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OCc1cc(O)ccc1
SMILES	CACTVS	3.385	OCc1cccc(O)c1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)O)CO
Canonical SMILES	CACTVS	3.385	OCc1cccc(O)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)O)CO
InChI	InChI	1.03	InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2
InChIKey	InChI	1.03	OKVJCVWFVRATSG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	102
ChEMBL	CHEMBL3337531
ChEBI	CHEBI:17069
CCDC/CSD	FACCOB02, FACCOB01
COD	7206518, 7206517

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.