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310431-14-2 | 1H-Pyrrole-3-carboxylic acid, 1-amino-5-cyano-4-phenyl-, ethyl ester
CAS No: 310431-14-2 Catalog No: AG0031Z0 MDL No:
Product Description
Catalog Number:
AG0031Z0
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 1-amino-5-cyano-4-phenyl-, ethyl ester
CAS Number:
310431-14-2
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
IUPAC Name:
ethyl 1-amino-5-cyano-4-phenylpyrrole-3-carboxylate
InChI:
InChI=1S/C14H13N3O2/c1-2-19-14(18)11-9-17(16)12(8-15)13(11)10-6-4-3-5-7-10/h3-7,9H,2,16H2,1H3
InChI Key:
FOLSVRXVBVWZIK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(c(c1c1ccccc1)C#N)N
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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