1H-Pyrrole-1-carboxylic acid, 2,3-dihydro-, phenylmethyl ester


Chemical Name: 1H-Pyrrole-1-carboxylic acid, 2,3-dihydro-, phenylmethyl ester
CAS Number: 68471-57-8
Product Number: AG0063II(AGN-PC-0NFGH1)
Synonyms:
MDL No:
Molecular Formula: C12H13NO2
Molecular Weight: 203.2371

Identification/Properties


Properties
BP:
331.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
203.241g/mol
XLogP3:
2.1
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:
244
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:
Danger
UN#:
2810
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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