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114389-87-6 | Propanedioic acid, 2-[1-(dimethoxymethyl)hexyl]-, 1,3-dimethyl ester
CAS No: 114389-87-6 Catalog No: AG000B7K MDL No:
Product Description
Catalog Number:
AG000B7K
Chemical Name:
Propanedioic acid, 2-[1-(dimethoxymethyl)hexyl]-, 1,3-dimethyl ester
CAS Number:
114389-87-6
Molecular Formula:
C14H26O6
Molecular Weight:
290.3526
IUPAC Name:
dimethyl 2-(1,1-dimethoxyheptan-2-yl)propanedioate
InChI:
InChI=1S/C14H26O6/c1-6-7-8-9-10(14(19-4)20-5)11(12(15)17-2)13(16)18-3/h10-11,14H,6-9H2,1-5H3
InChI Key:
FLDGSJOPONUNQN-UHFFFAOYSA-N
SMILES:
CCCCCC(C(C(=O)OC)C(=O)OC)C(OC)OC
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.356g/mol
Monoisotopic Mass:
290.173g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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