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10531-77-8 | 1,2-Benzisoxazole,5-methyl-
CAS No: 10531-77-8 Catalog No: AG008539 MDL No:
Product Description
Catalog Number:
AG008539
Chemical Name:
1,2-Benzisoxazole,5-methyl-
CAS Number:
10531-77-8
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
IUPAC Name:
5-methyl-1,2-benzoxazole
InChI:
InChI=1S/C8H7NO/c1-6-2-3-8-7(4-6)5-9-10-8/h2-5H,1H3
InChI Key:
AINBEIXHMHVGML-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cno2
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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