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16230-68-5 | 2-Oxetanone, 3-methyl-3-propyl-
CAS No: 16230-68-5 Catalog No: AG001SZZ MDL No:
Product Description
Catalog Number:
AG001SZZ
Chemical Name:
2-Oxetanone, 3-methyl-3-propyl-
CAS Number:
16230-68-5
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
3-methyl-3-propyloxetan-2-one
InChI:
InChI=1S/C7H12O2/c1-3-4-7(2)5-9-6(7)8/h3-5H2,1-2H3
InChI Key:
PPVROFVPKBPJNS-UHFFFAOYSA-N
SMILES:
CC1(CCC)COC1=O
Properties
Complexity:
131
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:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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