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271-95-4 | Benzo[d]isoxazole
CAS No: 271-95-4 Catalog No: AG003DBW MDL No:MFCD00005852
Product Description
Catalog Number:
AG003DBW
Chemical Name:
Benzo[d]isoxazole
CAS Number:
271-95-4
Molecular Formula:
C7H5NO
Molecular Weight:
119.1207
MDL Number:
MFCD00005852
IUPAC Name:
1,2-benzoxazole
InChI:
InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5H
InChI Key:
KTZQTRPPVKQPFO-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)onc2
EC Number:
205-983-1
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.037g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.123g/mol
Monoisotopic Mass:
119.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
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