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Home > Aldehydes > 107096-56-0
107096-56-0 | 2,1-Benzisoxazole-4-carboxaldehyde
CAS No: 107096-56-0 Catalog No: AG007TF7 MDL No:
Product Description
Catalog Number:
AG007TF7
Chemical Name:
2,1-Benzisoxazole-4-carboxaldehyde
CAS Number:
107096-56-0
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
IUPAC Name:
2,1-benzoxazole-4-carbaldehyde
InChI:
InChI=1S/C8H5NO2/c10-4-6-2-1-3-8-7(6)5-11-9-8/h1-5H
InChI Key:
OABPRUYGJBZYOO-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1con2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.133g/mol
Monoisotopic Mass:
147.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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