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131830-49-4 | Oxazole, 4,5-dihydro-2,4-dimethyl-, (4S)-
CAS No: 131830-49-4 Catalog No: AG000ZSQ MDL No:
Product Description
Catalog Number:
AG000ZSQ
Chemical Name:
Oxazole, 4,5-dihydro-2,4-dimethyl-, (4S)-
CAS Number:
131830-49-4
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
IUPAC Name:
(4S)-2,4-dimethyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C5H9NO/c1-4-3-7-5(2)6-4/h4H,3H2,1-2H3/t4-/m0/s1
InChI Key:
BEQDKWKSUMQVMX-BYPYZUCNSA-N
SMILES:
C[C@H]1COC(=N1)C
Properties
Complexity:
98.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
99.068g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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