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82259-18-5

82259-18-5 | Nonanedioic acid, 2,2-dimethoxy-, 1-methyl ester

CAS No: 82259-18-5 Catalog No: AG0055ZK MDL No:

Product Description

Catalog Number:
AG0055ZK
Chemical Name:
Nonanedioic acid, 2,2-dimethoxy-, 1-methyl ester
CAS Number:
82259-18-5
Molecular Formula:
C12H21O6-
Molecular Weight:
261.2915
IUPAC Name:
8,8,9-trimethoxy-9-oxononanoate
InChI:
InChI=1S/C12H22O6/c1-16-11(15)12(17-2,18-3)9-7-5-4-6-8-10(13)14/h4-9H2,1-3H3,(H,13,14)/p-1
InChI Key:
YDQDUGUAPYIVMU-UHFFFAOYSA-M
SMILES:
COC(=O)C(CCCCCCC(=O)[O-])(OC)OC

Properties

Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.134g/mol
Formal Charge:
-1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.294g/mol
Monoisotopic Mass:
261.134g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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