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10003-67-5 | 1,2,3-Propanetricarboxylic acid, 1,2,3-trinonyl ester
CAS No: 10003-67-5 Catalog No: AG0000C5 MDL No:
Product Description
Catalog Number:
AG0000C5
Chemical Name:
1,2,3-Propanetricarboxylic acid, 1,2,3-trinonyl ester
CAS Number:
10003-67-5
Molecular Formula:
C33H62O6
Molecular Weight:
554.8418
IUPAC Name:
trinonyl propane-1,2,3-tricarboxylate
InChI:
InChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-37-31(34)28-30(33(36)39-27-24-21-18-15-12-9-6-3)29-32(35)38-26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3
InChI Key:
FSWPMCGVDLITKB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)C(CC(=O)OCCCCCCCCC)CC(=O)OCCCCCCCCC
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.455g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.853g/mol
Monoisotopic Mass:
554.455g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.6
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