Home Carboxys methyl 4-benzyl-1H-pyrrole-3-carboxylate

methyl 4-benzyl-1H-pyrrole-3-carboxylate

CAS No.:
109578-39-4
Catalog Number:
AG01EIQM
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
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Product Description
Catalog Number:
AG01EIQM
Chemical Name:
methyl 4-benzyl-1H-pyrrole-3-carboxylate
CAS Number:
109578-39-4
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
MDL Number:
MFCD31438850
IUPAC Name:
methyl 4-benzyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C13H13NO2/c1-16-13(15)12-9-14-8-11(12)7-10-5-3-2-4-6-10/h2-6,8-9,14H,7H2,1H3
InChI Key:
YLYNQUULCLJVSW-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]cc1Cc1ccccc1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties