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13259-35-3 | Hexanedioic acid, 1,6-bis[3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester
CAS No: 13259-35-3 Catalog No: AG0010VL MDL No:
Product Description
Catalog Number:
AG0010VL
Chemical Name:
Hexanedioic acid, 1,6-bis[3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester
CAS Number:
13259-35-3
Molecular Formula:
C16H30O10
Molecular Weight:
382.4034
IUPAC Name:
bis[3-hydroxy-2,2-bis(hydroxymethyl)propyl] hexanedioate
InChI:
InChI=1S/C16H30O10/c17-5-15(6-18,7-19)11-25-13(23)3-1-2-4-14(24)26-12-16(8-20,9-21)10-22/h17-22H,1-12H2
InChI Key:
LVWCFYZOYGLJBQ-UHFFFAOYSA-N
SMILES:
OCC(COC(=O)CCCCC(=O)OCC(CO)(CO)CO)(CO)CO
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.184g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
382.406g/mol
Monoisotopic Mass:
382.184g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
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