1Q8

N-(hydroxymethyl)benzamide

Created:	2013-04-25
Last modified:	2013-05-22

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2 entries where 1Q8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of 1Q8

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Chemical Component Summary
Name	N-(hydroxymethyl)benzamide
Systematic Name (OpenEye OEToolkits)	N-(hydroxymethyl)benzamide
Formula	C₈ H₉ N O₂
Molecular Weight	151.163
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCO)c1ccccc1
SMILES	CACTVS	3.370	OCNC(=O)c1ccccc1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C(=O)NCO
Canonical SMILES	CACTVS	3.370	OCNC(=O)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C(=O)NCO
InChI	InChI	1.03	InChI=1S/C8H9NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)
InChIKey	InChI	1.03	UOUBPDZUBVJZOQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	80493
CCDC/CSD	JOWVAS

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