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137207-23-9 | Pentanedioic acid, 2-acetyl-3,3-dimethyl-, 1-ethyl 5-methyl ester
CAS No: 137207-23-9 Catalog No: AG0012XG MDL No:
Product Description
Catalog Number:
AG0012XG
Chemical Name:
Pentanedioic acid, 2-acetyl-3,3-dimethyl-, 1-ethyl 5-methyl ester
CAS Number:
137207-23-9
Molecular Formula:
C12H20O5
Molecular Weight:
244.2842
IUPAC Name:
1-O-ethyl 5-O-methyl 2-acetyl-3,3-dimethylpentanedioate
InChI:
InChI=1S/C12H20O5/c1-6-17-11(15)10(8(2)13)12(3,4)7-9(14)16-5/h10H,6-7H2,1-5H3
InChI Key:
PTCOZOJXDJIIMY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(CC(=O)OC)(C)C)C(=O)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.287g/mol
Monoisotopic Mass:
244.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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