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175972-06-2 | 1,2,4-Cyclohexanetricarboxylic acid, 1,2,4-tris(2-oxiranylmethyl) ester
CAS No: 175972-06-2 Catalog No: AG0021B9 MDL No:
Product Description
Catalog Number:
AG0021B9
Chemical Name:
1,2,4-Cyclohexanetricarboxylic acid, 1,2,4-tris(2-oxiranylmethyl) ester
CAS Number:
175972-06-2
Molecular Formula:
C18H24O9
Molecular Weight:
384.3778
IUPAC Name:
tris(oxiran-2-ylmethyl) cyclohexane-1,2,4-tricarboxylate
InChI:
InChI=1S/C18H24O9/c19-16(25-7-11-4-22-11)10-1-2-14(17(20)26-8-12-5-23-12)15(3-10)18(21)27-9-13-6-24-13/h10-15H,1-9H2
InChI Key:
PMXJJOGDMJFFJK-UHFFFAOYSA-N
SMILES:
O=C(C1CC(CCC1C(=O)OCC1OC1)C(=O)OCC1OC1)OCC1OC1
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.142g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.381g/mol
Monoisotopic Mass:
384.142g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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