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27115-50-0

27115-50-0 structural image
Product Name: 4-METHYLHIPPURIC ACID
Formula: C10H11NO3
Synonyms: N-(4-Methylbenzoyl)glycine;p-Toluric acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 193.20 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 193.07389321 g/mol
Monoisotopic Mass 193.07389321 g/mol
Topological Polar Surface Area 66.4 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 219
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

P-methylhippuric acid is an N-acylglycine in which the acyl group is specified as 4-methylbenzoyl. It has a role as a metabolite.