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Home > Aldehydes > 893733-97-6
893733-97-6 | 5-(3-Thienyl)-1H-indole-3-carbaldehyde
CAS No: 893733-97-6 Catalog No: AG01EYK2 MDL No:
Product Description
Catalog Number:
AG01EYK2
Chemical Name:
5-(3-Thienyl)-1H-indole-3-carbaldehyde
CAS Number:
893733-97-6
Molecular Formula:
C13H9NOS
Molecular Weight:
227.2817
IUPAC Name:
5-thiophen-3-yl-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C13H9NOS/c15-7-11-6-14-13-2-1-9(5-12(11)13)10-3-4-16-8-10/h1-8,14H
InChI Key:
NBCFQDVINAOYTB-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(cc2)c1cscc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.281g/mol
Monoisotopic Mass:
227.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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