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Home > Aldehydes > 893734-32-2
893734-32-2 | 5-(5-Pyrimidinyl)-1H-indole-3-carbaldehyde
CAS No: 893734-32-2 Catalog No: AG01EYKC MDL No:
Product Description
Catalog Number:
AG01EYKC
Chemical Name:
5-(5-Pyrimidinyl)-1H-indole-3-carbaldehyde
CAS Number:
893734-32-2
Molecular Formula:
C13H9N3O
Molecular Weight:
223.2301
IUPAC Name:
5-pyrimidin-5-yl-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C13H9N3O/c17-7-11-6-16-13-2-1-9(3-12(11)13)10-4-14-8-15-5-10/h1-8,16H
InChI Key:
YOKLOOXZQHWPIE-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(cc2)c1cncnc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.235g/mol
Monoisotopic Mass:
223.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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