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857492-98-9

857492-98-9 structural image
Product Name: 4-[(3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL)METHYL]BENZOIC ACID
Formula: C16H13NO4
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 283.28 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 283.08445790 g/mol
Monoisotopic Mass 283.08445790 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 403
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