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89464-34-6 | Oxazole, 5-methoxy-2,4-dimethyl-
CAS No: 89464-34-6 Catalog No: AG0043RC MDL No:
Product Description
Catalog Number:
AG0043RC
Chemical Name:
Oxazole, 5-methoxy-2,4-dimethyl-
CAS Number:
89464-34-6
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
IUPAC Name:
5-methoxy-2,4-dimethyl-1,3-oxazole
InChI:
InChI=1S/C6H9NO2/c1-4-6(8-3)9-5(2)7-4/h1-3H3
InChI Key:
PJOTVKLKMPAYFD-UHFFFAOYSA-N
SMILES:
COc1oc(nc1C)C
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| 5-Meth-oxy-1,2',3-trimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione. | Acta crystallographica. Section E, Structure reports online 20110601 |
| Methyl 2-acetamido-2-(1-acetyl-3-hydr-oxy-2-oxoindolin-3-yl)propanoate. | Acta crystallographica. Section E, Structure reports online 20100401 |
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