4HP

4-HYDROXYPHENYLACETATE

Created:	1999-07-08
Last modified:	2024-09-27

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10 entries where 4HP is found as a standalone ligand1 entries where 4HP is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of 4HP

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Chemical Component Summary
Name	4-HYDROXYPHENYLACETATE
Systematic Name (OpenEye OEToolkits)	2-(4-hydroxyphenyl)ethanoic acid
Formula	C₈ H₈ O₃
Molecular Weight	152.147
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)Cc1ccc(O)cc1
SMILES	CACTVS	3.341	OC(=O)Cc1ccc(O)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CC(=O)O)O
Canonical SMILES	CACTVS	3.341	OC(=O)Cc1ccc(O)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CC(=O)O)O
InChI	InChI	1.03	InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKey	InChI	1.03	XQXPVVBIMDBYFF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	127
ChEMBL	CHEMBL1772
ChEBI	CHEBI:18101
CCDC/CSD	APAXUL, DIHSAQ, QAPBAL, TUQBIR, LAHHAH
COD	2206112

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