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1221819-47-1 | 2-Propanone, 1-(3-oxetanylidene)-
CAS No: 1221819-47-1 Catalog No: AG0016WG MDL No:MFCD18909298
Product Description
Catalog Number:
AG0016WG
Chemical Name:
2-Propanone, 1-(3-oxetanylidene)-
CAS Number:
1221819-47-1
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
MDL Number:
MFCD18909298
IUPAC Name:
1-(oxetan-3-ylidene)propan-2-one
InChI:
InChI=1S/C6H8O2/c1-5(7)2-6-3-8-4-6/h2H,3-4H2,1H3
InChI Key:
SWRPBABRNMYQOL-UHFFFAOYSA-N
SMILES:
CC(=O)C=C1COC1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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