Home Carboxys 1-benzyl-2-methyl-1H-pyrrole-3-carboxylic acid

1-benzyl-2-methyl-1H-pyrrole-3-carboxylic acid

CAS No.:
92028-89-2
Catalog Number:
AG01BTLP
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
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Product Description
Catalog Number:
AG01BTLP
Chemical Name:
1-benzyl-2-methyl-1H-pyrrole-3-carboxylic acid
CAS Number:
92028-89-2
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
MDL Number:
MFCD24481752
IUPAC Name:
1-benzyl-2-methylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C13H13NO2/c1-10-12(13(15)16)7-8-14(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,16)
InChI Key:
IKZHQAOKRXYAET-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccn(c1C)Cc1ccccc1
Properties
Complexity:
248  
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:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties