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339363-57-4 | Thieno[3,2-c]isoxazole-3-carboxaldehyde
CAS No: 339363-57-4 Catalog No: AG007IC7 MDL No:
Product Description
Catalog Number:
AG007IC7
Chemical Name:
Thieno[3,2-c]isoxazole-3-carboxaldehyde
CAS Number:
339363-57-4
Molecular Formula:
C6H3NO2S
Molecular Weight:
153.1585
IUPAC Name:
thieno[3,2-c][1,2]oxazole-3-carbaldehyde
InChI:
InChI=1S/C6H3NO2S/c8-3-5-6-4(7-9-5)1-2-10-6/h1-3H
InChI Key:
UFGHNOOMNZNMAF-UHFFFAOYSA-N
SMILES:
O=Cc1onc2c1scc2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.988g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.155g/mol
Monoisotopic Mass:
152.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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