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204333-19-7 | 2-Oxazolemethanol, 4-(1,1-dimethylethyl)-4,5-dihydro-α,α-dimethyl-, (4S)-
CAS No: 204333-19-7 Catalog No: AG0029FZ MDL No:MFCD05861600
Product Description
Catalog Number:
AG0029FZ
Chemical Name:
2-Oxazolemethanol, 4-(1,1-dimethylethyl)-4,5-dihydro-α,α-dimethyl-, (4S)-
CAS Number:
204333-19-7
Molecular Formula:
C10H19NO2
Molecular Weight:
185.2634
MDL Number:
MFCD05861600
IUPAC Name:
2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-ol
InChI:
InChI=1S/C10H19NO2/c1-9(2,3)7-6-13-8(11-7)10(4,5)12/h7,12H,6H2,1-5H3/t7-/m1/s1
InChI Key:
MNKXLAJVKRUKAN-SSDOTTSWSA-N
SMILES:
CC([C@H]1COC(=N1)C(O)(C)C)(C)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
185.142g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.267g/mol
Monoisotopic Mass:
185.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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