200,000+ products from a single source!
sales@angenechem.com
198076-19-6 | 2H-Pyrrole-3-carboxylic acid, 2,2,5-trimethyl-4-phenyl-, methyl ester
CAS No: 198076-19-6 Catalog No: AG002B99 MDL No:
Product Description
Catalog Number:
AG002B99
Chemical Name:
2H-Pyrrole-3-carboxylic acid, 2,2,5-trimethyl-4-phenyl-, methyl ester
CAS Number:
198076-19-6
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
methyl 2,2,5-trimethyl-4-phenylpyrrole-3-carboxylate
InChI:
InChI=1S/C15H17NO2/c1-10-12(11-8-6-5-7-9-11)13(14(17)18-4)15(2,3)16-10/h5-9H,1-4H3
InChI Key:
GSRKQLSRLNFUDF-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(C(=NC1(C)C)C)c1ccccc1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.