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74052-97-4 | 2,1-Benzisoxazole-3-carboxaldehyde
CAS No: 74052-97-4 Catalog No: AG005UB0 MDL No:
Product Description
Catalog Number:
AG005UB0
Chemical Name:
2,1-Benzisoxazole-3-carboxaldehyde
CAS Number:
74052-97-4
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
IUPAC Name:
2,1-benzoxazole-3-carbaldehyde
InChI:
InChI=1S/C8H5NO2/c10-5-8-6-3-1-2-4-7(6)9-11-8/h1-5H
InChI Key:
ZVXWZPZFZOHXRV-UHFFFAOYSA-N
SMILES:
O=Cc1onc2c1cccc2
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:
1.5
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