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88017-48-5 | Cyclopentanone, 3-(3,3-dimethyl-1-oxobutyl)-
CAS No: 88017-48-5 Catalog No: AG004GNU MDL No:
Product Description
Catalog Number:
AG004GNU
Chemical Name:
Cyclopentanone, 3-(3,3-dimethyl-1-oxobutyl)-
CAS Number:
88017-48-5
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
3-(3,3-dimethylbutanoyl)cyclopentan-1-one
InChI:
InChI=1S/C11H18O2/c1-11(2,3)7-10(13)8-4-5-9(12)6-8/h8H,4-7H2,1-3H3
InChI Key:
PDPUNQFYLDNAAR-UHFFFAOYSA-N
SMILES:
O=C1CCC(C1)C(=O)CC(C)(C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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