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124901-12-8 | 1H-Pyrrole-2-carboxylic acid, 4-methyl-3-phenyl-, ethyl ester
CAS No: 124901-12-8 Catalog No: AG000MUY MDL No:
Product Description
Catalog Number:
AG000MUY
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-methyl-3-phenyl-, ethyl ester
CAS Number:
124901-12-8
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
ethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C14H15NO2/c1-3-17-14(16)13-12(10(2)9-15-13)11-7-5-4-6-8-11/h4-9,15H,3H2,1-2H3
InChI Key:
ZXBOCLDHYGJYDU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]cc(c1c1ccccc1)C
Properties
Complexity:
261
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:
1
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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