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80721-15-9 | Pentanedioic acid,3-methyl-3-propyl-, 1,5-diethyl ester
CAS No: 80721-15-9 Catalog No: AG0051Q4 MDL No:
Product Description
Catalog Number:
AG0051Q4
Chemical Name:
Pentanedioic acid,3-methyl-3-propyl-, 1,5-diethyl ester
CAS Number:
80721-15-9
Molecular Formula:
C13H24O4
Molecular Weight:
244.3273
IUPAC Name:
diethyl 3-methyl-3-propylpentanedioate
InChI:
InChI=1S/C13H24O4/c1-5-8-13(4,9-11(14)16-6-2)10-12(15)17-7-3/h5-10H2,1-4H3
InChI Key:
ANESJIFXDTVKGS-UHFFFAOYSA-N
SMILES:
CCCC(CC(=O)OCC)(CC(=O)OCC)C
NSC Number:
38756
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.331g/mol
Monoisotopic Mass:
244.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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