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87698-22-4 | 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)-
CAS No: 87698-22-4 Catalog No: AG004JP1 MDL No:
Product Description
Catalog Number:
AG004JP1
Chemical Name:
1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)-
CAS Number:
87698-22-4
Molecular Formula:
C15H26O5
Molecular Weight:
286.3639
IUPAC Name:
2-methyl-2-(3,3,3-triethoxypropyl)cyclopentane-1,3-dione
InChI:
InChI=1S/C15H26O5/c1-5-18-15(19-6-2,20-7-3)11-10-14(4)12(16)8-9-13(14)17/h5-11H2,1-4H3
InChI Key:
ONDMMLTUFUGCFE-UHFFFAOYSA-N
SMILES:
CCOC(OCC)(OCC)CCC1(C)C(=O)CCC1=O
NSC Number:
611094
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.368g/mol
Monoisotopic Mass:
286.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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