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13027-76-4 | 2-Propanone, 1-cyclobutyl-
CAS No: 13027-76-4 Catalog No: AG000U7L MDL No:MFCD21240488
Product Description
Catalog Number:
AG000U7L
Chemical Name:
2-Propanone, 1-cyclobutyl-
CAS Number:
13027-76-4
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD21240488
IUPAC Name:
1-cyclobutylpropan-2-one
InChI:
InChI=1S/C7H12O/c1-6(8)5-7-3-2-4-7/h7H,2-5H2,1H3
InChI Key:
DSZACMSTKNWDET-UHFFFAOYSA-N
SMILES:
CC(=O)CC1CCC1
Properties
Complexity:
92.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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