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132377-00-5 | Oxazole, 4-(1,1-dimethylethyl)-4,5-dihydro-, (4S)-
CAS No: 132377-00-5 Catalog No: AG0010M0 MDL No:
Product Description
Catalog Number:
AG0010M0
Chemical Name:
Oxazole, 4-(1,1-dimethylethyl)-4,5-dihydro-, (4S)-
CAS Number:
132377-00-5
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
IUPAC Name:
4-tert-butyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C7H13NO/c1-7(2,3)6-4-9-5-8-6/h5-6H,4H2,1-3H3
InChI Key:
QEMGMKHRBKOVHA-UHFFFAOYSA-N
SMILES:
CC([C@H]1COC=N1)(C)C
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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