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1569-08-0 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-(phenylmethyl)-
CAS No: 1569-08-0 Catalog No: AG001P2W MDL No:MFCD00102140
Product Description
Catalog Number:
AG001P2W
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(phenylmethyl)-
CAS Number:
1569-08-0
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD00102140
IUPAC Name:
2-benzyl-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C12H15NO/c1-12(2)9-14-11(13-12)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChI Key:
GPBCTHQIXXYBHQ-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)Cc1ccccc1
UNII:
W7J28W8W2Y
NSC Number:
160542
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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