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1823-54-7 | 2-Oxetanone, 3-methyl-
CAS No: 1823-54-7 Catalog No: AG0023LG MDL No:
Product Description
Catalog Number:
AG0023LG
Chemical Name:
2-Oxetanone, 3-methyl-
CAS Number:
1823-54-7
Molecular Formula:
C4H6O2
Molecular Weight:
86.0892
IUPAC Name:
3-methyloxetan-2-one
InChI:
InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3
InChI Key:
NYBXFCLDEATPCM-UHFFFAOYSA-N
SMILES:
CC1COC1=O
Properties
Complexity:
77.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
86.037g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
86.09g/mol
Monoisotopic Mass:
86.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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