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124438-10-4 | Phenol, 4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-
CAS No: 124438-10-4 Catalog No: AG000M0K MDL No:MFCD24716540
Product Description
Catalog Number:
AG000M0K
Chemical Name:
Phenol, 4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-
CAS Number:
124438-10-4
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD24716540
IUPAC Name:
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol
InChI:
InChI=1S/C11H13NO2/c1-11(2)7-14-10(12-11)8-3-5-9(13)6-4-8/h3-6,13H,7H2,1-2H3
InChI Key:
ZHEBOGJEFDFDSQ-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)c1ccc(cc1)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| 2-(4-Hydroxyphenyl)-4,4-dimethyl-2-oxazoline: X-ray and density functional theory study. | Acta crystallographica. Section C, Crystal structure communications 20060701 |
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