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162152-12-7 | 1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester
CAS No: 162152-12-7 Catalog No: AG001STR MDL No:
Product Description
Catalog Number:
AG001STR
Chemical Name:
1H-Pyrrole-2-acetic acid, 3-(methoxycarbonyl)-4-phenyl-, methyl ester
CAS Number:
162152-12-7
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
methyl 2-(2-methoxy-2-oxoethyl)-4-phenyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C15H15NO4/c1-19-13(17)8-12-14(15(18)20-2)11(9-16-12)10-6-4-3-5-7-10/h3-7,9,16H,8H2,1-2H3
InChI Key:
WHJCFWCYNLHYMW-UHFFFAOYSA-N
SMILES:
COC(=O)c1c([nH]cc1c1ccccc1)CC(=O)OC
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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