175136-33-1
Product Name:
4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-4-OXOBUTANOIC ACID
Formula:
C13H14O5
Inquiry
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 |