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138622-93-2

138622-93-2 | 2-Oxetanone, 4-(1,1-dimethylethyl)-, (4R)-

CAS No: 138622-93-2 Catalog No: AG0018VX MDL No:

Product Description

Catalog Number:
AG0018VX
Chemical Name:
2-Oxetanone, 4-(1,1-dimethylethyl)-, (4R)-
CAS Number:
138622-93-2
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
4-tert-butyloxetan-2-one
InChI:
InChI=1S/C7H12O2/c1-7(2,3)5-4-6(8)9-5/h5H,4H2,1-3H3
InChI Key:
SJXFITPHLHUWTF-UHFFFAOYSA-N
SMILES:
CC([C@H]1CC(=O)O1)(C)C

Properties

Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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