5-Hydroxy-2-methylbenzamide - CAS 1243287-58-2

Catalog:	BB061011
Product Name:	5-Hydroxy-2-methylbenzamide
CAS:	1243287-58-2
Synonyms:	5-HYDROXY-2-METHYLBENZAMIDE

Technical Data

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Computed Properties

IUPAC Name:	5-hydroxy-2-methylbenzamide
Description:	5-hydroxy-2-methylbenzamide is a reagent used in the structure-activity relationship study of novel benzamide derivatives with potential antipsychotics properties.
Molecular Weight:	151.16
Molecular Formula:	C8H9NO2
Canonical SMILES:	CC1=C(C=C(C=C1)O)C(=O)N
InChI:	InChI=1S/C8H9NO2/c1-5-2-3-6(10)4-7(5)8(9)11/h2-4,10H,1H3,(H2,9,11)
InChI Key:	SQJRKCQZWDFHNB-UHFFFAOYSA-N
References:	Xu, M., et al. Archiv der Pharmazie, 352 (2019).

Publication Number	Title	Priority Date
WO-2020092621-A1	Substituted 6-azabenzimidazole compounds as hpk1 inhibitors	20181031
US-2021115037-A1	Substituted 6-azabenzimidazole compounds	20181031
AU-2019372046-A1	Substituted 6-azabenzimidazole compounds as HPK1 inhibitors	20181031
BR-112021008255-A2	substituted 6-azabenzimidazole compounds as hpk1 inhibitors	20181031
CN-113227089-A	Substituted 6-azabenzimidazole compounds as HPK1 inhibitors	20181031
EP-3873903-A1	Substituted 6-azabenzimidazole compounds as hpk1 inhibitors	20181031
KR-20210086685-A	Substituted 6-azabenzimidazole compounds as HPK1 inhibitors	20181031
JP-2022509533-A	Substitution 6-azabenzoimidazole compound as an HPK1 inhibitor	20181031
US-11203591-B2	Substituted 6-azabenzimidazole compounds	20181031
WO-2006047528-A2	Pyrazolobenzamides and derivatives as factor xa inhibitors	20041026

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.06332853
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	151.06332853
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8