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4105-93-5 | Diethyl 1,3,5-benzenetricarboxylate
CAS No: 4105-93-5 Catalog No: AG003PF1 MDL No:
Product Description
Catalog Number:
AG003PF1
Chemical Name:
Diethyl 1,3,5-benzenetricarboxylate
CAS Number:
4105-93-5
IUPAC Name:
3,5-bis(ethoxycarbonyl)benzoate
InChI:
InChI=1S/C13H14O6/c1-3-18-12(16)9-5-8(11(14)15)6-10(7-9)13(17)19-4-2/h5-7H,3-4H2,1-2H3,(H,14,15)/p-1
InChI Key:
GAVXMTRMXPWCCV-UHFFFAOYSA-M
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.071g/mol
Formal Charge:
-1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.241g/mol
Monoisotopic Mass:
265.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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