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116498-49-8 | Cyclopentanone, 3-hydroxy-2-methyl-2-(3-oxobutyl)-
CAS No: 116498-49-8 Catalog No: AG000CMD MDL No:
Product Description
Catalog Number:
AG000CMD
Chemical Name:
Cyclopentanone, 3-hydroxy-2-methyl-2-(3-oxobutyl)-
CAS Number:
116498-49-8
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
3-hydroxy-2-methyl-2-(3-oxobutyl)cyclopentan-1-one
InChI:
InChI=1S/C10H16O3/c1-7(11)5-6-10(2)8(12)3-4-9(10)13/h8,12H,3-6H2,1-2H3
InChI Key:
SQWDXJRSXAMTBK-UHFFFAOYSA-N
SMILES:
CC(=O)CCC1(C)C(O)CCC1=O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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