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53416-46-9 | 2-(4-METHOXYPHENYL)-4,4-DIMETHYL-4,5-DIHYDRO-1,3-OXAZOLE
CAS No: 53416-46-9 Catalog No: AG00D8VY MDL No:MFCD00085035
Product Description
Catalog Number:
AG00D8VY
Chemical Name:
2-(4-METHOXYPHENYL)-4,4-DIMETHYL-4,5-DIHYDRO-1,3-OXAZOLE
CAS Number:
53416-46-9
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD00085035
IUPAC Name:
2-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C12H15NO2/c1-12(2)8-15-11(13-12)9-4-6-10(14-3)7-5-9/h4-7H,8H2,1-3H3
InChI Key:
HQVCWVGSZXODRW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NC(CO1)(C)C
NSC Number:
620123
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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