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819802-97-6 | Hexanedioic acid, 3,3-bis[(1,1-dimethylethoxy)methyl]-, dimethyl ester
CAS No: 819802-97-6 Catalog No: AG0055E7 MDL No:
Product Description
Catalog Number:
AG0055E7
Chemical Name:
Hexanedioic acid, 3,3-bis[(1,1-dimethylethoxy)methyl]-, dimethyl ester
CAS Number:
819802-97-6
Molecular Formula:
C18H34O6
Molecular Weight:
346.4590
IUPAC Name:
dimethyl 3,3-bis[(2-methylpropan-2-yl)oxymethyl]hexanedioate
InChI:
InChI=1S/C18H34O6/c1-16(2,3)23-12-18(11-15(20)22-8,10-9-14(19)21-7)13-24-17(4,5)6/h9-13H2,1-8H3
InChI Key:
XJXBIGINBQGCAY-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(CC(=O)OC)(COC(C)(C)C)COC(C)(C)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.236g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.464g/mol
Monoisotopic Mass:
346.236g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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