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4127-53-1 | 3-Methylbenzo[c]isoxazole
CAS No: 4127-53-1 Catalog No: AG01FLND MDL No:
Product Description
Catalog Number:
AG01FLND
Chemical Name:
3-Methylbenzo[c]isoxazole
CAS Number:
4127-53-1
IUPAC Name:
3-methyl-2,1-benzoxazole
InChI:
InChI=1S/C8H7NO/c1-6-7-4-2-3-5-8(7)9-10-6/h2-5H,1H3
InChI Key:
ZOQDGMRYMRFKRV-UHFFFAOYSA-N
NSC Number:
99340
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:
2.1
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