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10531-79-0 | 6-Methylbenzo[d]isoxazole
CAS No: 10531-79-0 Catalog No: AG007EV5 MDL No:
Product Description
Catalog Number:
AG007EV5
Chemical Name:
6-Methylbenzo[d]isoxazole
CAS Number:
10531-79-0
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
IUPAC Name:
6-methyl-1,2-benzoxazole
InChI:
InChI=1S/C8H7NO/c1-6-2-3-7-5-9-10-8(7)4-6/h2-5H,1H3
InChI Key:
VZVAQLOROCVVSN-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)onc2
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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