Home Carboxys methyl 5-phenyl-1H-pyrrole-2-carboxylate

methyl 5-phenyl-1H-pyrrole-2-carboxylate

CAS No.:
52179-72-3
Catalog Number:
AG01AHCN
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
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Product Description
Catalog Number:
AG01AHCN
Chemical Name:
methyl 5-phenyl-1H-pyrrole-2-carboxylate
CAS Number:
52179-72-3
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD11501016
IUPAC Name:
methyl 5-phenyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C12H11NO2/c1-15-12(14)11-8-7-10(13-11)9-5-3-2-4-6-9/h2-8,13H,1H3
InChI Key:
GLGJCZQHYJZQMC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc([nH]1)c1ccccc1
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties