Chemical Components in the PDB

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AC6 : Summary

Code

AC6

One-letter code

X

Molecule name

P-HYDROXYACETOPHENONE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-(4-hydroxyphenyl)ethanone
OpenEye OEToolkits 1.5.0 1-(4-hydroxyphenyl)ethanone

Formula

C8 H8 O2

Formal charge

0

Molecular weight

136.148 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c1ccc(O)cc1)C
SMILES CACTVS 3.341 CC(=O)c1ccc(O)cc1
SMILES OpenEye OEToolkits 1.5.0 CC(=O)c1ccc(cc1)O
Canonical SMILES CACTVS 3.341 CC(=O)c1ccc(O)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)c1ccc(cc1)O

IUPAC InChI

InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3

IUPAC InChI key

TXFPEBPIARQUIG-UHFFFAOYSA-N
AC6

wwPDB Information

Atom count

18 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-04-21

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned