200,000+ products from a single source!
sales@angenechem.com
123476-57-3 | 1H-Pyrrole-2-carboxylic acid, 1-(phenylmethyl)-, ethyl ester
CAS No: 123476-57-3 Catalog No: AG000KNU MDL No:
Product Description
Catalog Number:
AG000KNU
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 1-(phenylmethyl)-, ethyl ester
CAS Number:
123476-57-3
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
ethyl 1-benzylpyrrole-2-carboxylate
InChI:
InChI=1S/C14H15NO2/c1-2-17-14(16)13-9-6-10-15(13)11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChI Key:
DREONSCOKKHULY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccn1Cc1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.