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5676-57-3 | 5-Methoxy-2-methylbenzo[d]oxazole
CAS No: 5676-57-3 Catalog No: AG003MU1 MDL No:MFCD00128831
Product Description
Catalog Number:
AG003MU1
Chemical Name:
5-Methoxy-2-methylbenzo[d]oxazole
CAS Number:
5676-57-3
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00128831
IUPAC Name:
5-methoxy-2-methyl-1,3-benzoxazole
InChI:
InChI=1S/C9H9NO2/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3
InChI Key:
WCXSVOWHNXWHRT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(o2)C
EC Number:
227-134-4
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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