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154822-66-9 | Isoxazole, 4-(4-methoxyphenyl)-3,5-dimethyl-
CAS No: 154822-66-9 Catalog No: AG007FQ2 MDL No:MFCD20267671
Product Description
Catalog Number:
AG007FQ2
Chemical Name:
Isoxazole, 4-(4-methoxyphenyl)-3,5-dimethyl-
CAS Number:
154822-66-9
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD20267671
IUPAC Name:
4-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C12H13NO2/c1-8-12(9(2)15-13-8)10-4-6-11(14-3)7-5-10/h4-7H,1-3H3
InChI Key:
XGUCHBNMFVITGP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(C)noc1C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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