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57598-33-1 | 2-(2-METHOXYPHENYL)-4,4-DIMETHYL-2-OXAZOLINE
CAS No: 57598-33-1 Catalog No: AG00E979 MDL No:
Product Description
Catalog Number:
AG00E979
Chemical Name:
2-(2-METHOXYPHENYL)-4,4-DIMETHYL-2-OXAZOLINE
CAS Number:
57598-33-1
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
2-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C12H15NO2/c1-12(2)8-15-11(13-12)9-6-4-5-7-10(9)14-3/h4-7H,8H2,1-3H3
InChI Key:
ZGDUNGBWVZKWGE-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1=NC(CO1)(C)C
UNII:
U3076TTS1P
NSC Number:
333420
Properties
Complexity:
260
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
Literature
| Title | Journal |
|---|---|
| 2-(2-Methoxy-phen-yl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole. | Acta crystallographica. Section E, Structure reports online 20080101 |
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