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Home > Aldehydes > 147353-77-3
147353-77-3 | 2-Pyridinecarboxaldehyde,5-hydroxy-,oxime(9CI)
CAS No: 147353-77-3 Catalog No: AG00B7PF MDL No:MFCD00171776
Product Description
Catalog Number:
AG00B7PF
Chemical Name:
2-Pyridinecarboxaldehyde,5-hydroxy-,oxime(9CI)
CAS Number:
147353-77-3
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD00171776
IUPAC Name:
ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C13H14N2O2/c1-2-17-13(16)11-10(8-15-12(11)14)9-6-4-3-5-7-9/h3-8,15H,2,14H2,1H3
InChI Key:
YRZHKCQCHAZCNB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)[nH]cc1c1ccccc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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