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69362-51-2 | Cyclopentanone, 2-(2,2-dimethyl-1-oxopropyl)-5-methyl-, cis-
CAS No: 69362-51-2 Catalog No: AG006FU6 MDL No:
Product Description
Catalog Number:
AG006FU6
Chemical Name:
Cyclopentanone, 2-(2,2-dimethyl-1-oxopropyl)-5-methyl-, cis-
CAS Number:
69362-51-2
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
(2S,5R)-2-(2,2-dimethylpropanoyl)-5-methylcyclopentan-1-one
InChI:
InChI=1S/C11H18O2/c1-7-5-6-8(9(7)12)10(13)11(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
InChI Key:
ANOOWFJNRBSPBT-SFYZADRCSA-N
SMILES:
O=C1[C@H](C)CC[C@@H]1C(=O)C(C)(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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