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849402-65-9 | 4-Methoxy-2-methylbenzoxazole
CAS No: 849402-65-9 Catalog No: AG003AMA MDL No:
Product Description
Catalog Number:
AG003AMA
Chemical Name:
4-Methoxy-2-methylbenzoxazole
CAS Number:
849402-65-9
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
4-methoxy-2-methyl-1,3-benzoxazole
InChI:
InChI=1S/C9H9NO2/c1-6-10-9-7(11-2)4-3-5-8(9)12-6/h3-5H,1-2H3
InChI Key:
NCSILNBMCGMRHU-UHFFFAOYSA-N
SMILES:
COc1cccc2c1nc(o2)C
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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