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25112-78-1 | 1,3-Cyclopentanedione, 2-methyl-2-(3-oxobutyl)-
CAS No: 25112-78-1 Catalog No: AG002QJJ MDL No:
Product Description
Catalog Number:
AG002QJJ
Chemical Name:
1,3-Cyclopentanedione, 2-methyl-2-(3-oxobutyl)-
CAS Number:
25112-78-1
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
2-methyl-2-(3-oxobutyl)cyclopentane-1,3-dione
InChI:
InChI=1S/C10H14O3/c1-7(11)5-6-10(2)8(12)3-4-9(10)13/h3-6H2,1-2H3
InChI Key:
OZBYSCPBJGAYMQ-UHFFFAOYSA-N
SMILES:
CC(=O)CCC1(C)C(=O)CCC1=O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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