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189939-54-6 | Cyclobutanone, 2-butyl-4-methyl-
CAS No: 189939-54-6 Catalog No: AG002E4X MDL No:
Product Description
Catalog Number:
AG002E4X
Chemical Name:
Cyclobutanone, 2-butyl-4-methyl-
CAS Number:
189939-54-6
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
2-butyl-4-methylcyclobutan-1-one
InChI:
InChI=1S/C9H16O/c1-3-4-5-8-6-7(2)9(8)10/h7-8H,3-6H2,1-2H3
InChI Key:
VTALWJBKQKXNNA-UHFFFAOYSA-N
SMILES:
CCCCC1CC(C1=O)C
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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