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114567-13-4 | Propanedioic acid, 2-(3,3-dimethoxypropyl)-, 1,3-diethyl ester
CAS No: 114567-13-4 Catalog No: AG000EOU MDL No:
Product Description
Catalog Number:
AG000EOU
Chemical Name:
Propanedioic acid, 2-(3,3-dimethoxypropyl)-, 1,3-diethyl ester
CAS Number:
114567-13-4
Molecular Formula:
C12H22O6
Molecular Weight:
262.2995
IUPAC Name:
diethyl 2-(3,3-dimethoxypropyl)propanedioate
InChI:
InChI=1S/C12H22O6/c1-5-17-11(13)9(12(14)18-6-2)7-8-10(15-3)16-4/h9-10H,5-8H2,1-4H3
InChI Key:
XFBYKGHAPAXGHU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)CCC(OC)OC
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.302g/mol
Monoisotopic Mass:
262.142g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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