benzyl 2,5-dihydropyrrole-1-carboxylate


Chemical Name: benzyl 2,5-dihydropyrrole-1-carboxylate
CAS Number: 31970-04-4
Product Number: AG003O3P(AGN-PC-0JU8KQ)
Synonyms:
MDL No: MFCD01863559
Molecular Formula: C12H13NO2
Molecular Weight: 203.2371

Identification/Properties


Properties
BP:
317.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.544(lit.)
Computed Properties
Molecular Weight:
203.241g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
203.095g/mol
Monoisotopic Mass:
203.095g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
236
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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