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20515-62-2 | Oxazolidine, 2,2-dimethyl-
CAS No: 20515-62-2 Catalog No: AG0029W4 MDL No:
Product Description
Catalog Number:
AG0029W4
Chemical Name:
Oxazolidine, 2,2-dimethyl-
CAS Number:
20515-62-2
Molecular Formula:
C5H11NO
Molecular Weight:
101.1469
IUPAC Name:
2,2-dimethyl-1,3-oxazolidine
InChI:
InChI=1S/C5H11NO/c1-5(2)6-3-4-7-5/h6H,3-4H2,1-2H3
InChI Key:
VSHIRTNKIXRXMI-UHFFFAOYSA-N
SMILES:
CC1(C)NCCO1
Properties
Complexity:
70.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.084g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
101.149g/mol
Monoisotopic Mass:
101.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| (4S)-(-)-4-Benzyl-2,2-dimethyl-3-o-toluoyl-1,3-oxazolidine. | Acta crystallographica. Section E, Structure reports online 20101101 |
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