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132616-26-3 | Spiro[3.3]heptane-2,2,6,6-tetramethanol, 2,2,6,6-tetraacetate
CAS No: 132616-26-3 Catalog No: AG0010VX MDL No:
Product Description
Catalog Number:
AG0010VX
Chemical Name:
Spiro[3.3]heptane-2,2,6,6-tetramethanol, 2,2,6,6-tetraacetate
CAS Number:
132616-26-3
Molecular Formula:
C19H28O8
Molecular Weight:
384.4208
IUPAC Name:
acetic acid;[2,2,6-tris(hydroxymethyl)spiro[3.3]heptan-6-yl]methanol
InChI:
InChI=1S/C11H20O4.4C2H4O2/c12-5-10(6-13)1-9(2-10)3-11(4-9,7-14)8-15;4*1-2(3)4/h12-15H,1-8H2;4*1H3,(H,3,4)
InChI Key:
BBKYHQUSMXLUPH-UHFFFAOYSA-N
SMILES:
CC(=O)OCC1(COC(=O)C)CC2(C1)CC(C2)(COC(=O)C)COC(=O)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.221g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
456.485g/mol
Monoisotopic Mass:
456.221g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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