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194163-91-2

194163-91-2 structural image
Product Name: N-BOC-TRANS-4-CYANO-L-PROLINE METHYL ESTER
Formula: C12H18N2O4
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P330:Rinse mouth.

COMPUTED DESCRIPTORS

Molecular Weight 254.28 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 254.12665706 g/mol
Monoisotopic Mass 254.12665706 g/mol
Topological Polar Surface Area 79.6 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 391
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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