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Home > Aldehydes > 117883-37-1
117883-37-1 | [3,3'-Biisoxazole]-5-carboxaldehyde
CAS No: 117883-37-1 Catalog No: AG0081EC MDL No:
Product Description
Catalog Number:
AG0081EC
Chemical Name:
[3,3'-Biisoxazole]-5-carboxaldehyde
CAS Number:
117883-37-1
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
IUPAC Name:
3-(1,2-oxazol-3-yl)-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C7H4N2O3/c10-4-5-3-7(9-12-5)6-1-2-11-8-6/h1-4H
InChI Key:
ATJXYFUTILCHLY-UHFFFAOYSA-N
SMILES:
O=Cc1onc(c1)c1nocc1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.12g/mol
Monoisotopic Mass:
164.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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