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175136-33-1

175136-33-1 structural image
Product Name: 4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-4-OXOBUTANOIC ACID
Formula: C13H14O5
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 250.25 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 250.08412354 g/mol
Monoisotopic Mass 250.08412354 g/mol
Topological Polar Surface Area 72.8 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 315
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