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88331-30-0 | 1,2,4-Benzenetricarboxylic acid, compd. with N,N-diethylethanamine(1:1)
CAS No: 88331-30-0 Catalog No: AG0047C0 MDL No:
Product Description
Catalog Number:
AG0047C0
Chemical Name:
1,2,4-Benzenetricarboxylic acid, compd. with N,N-diethylethanamine(1:1)
CAS Number:
88331-30-0
Molecular Formula:
C15H21NO6
Molecular Weight:
311.3303
IUPAC Name:
benzene-1,2,4-tricarboxylic acid;N,N-diethylethanamine
InChI:
InChI=1S/C9H6O6.C6H15N/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;1-4-7(5-2)6-3/h1-3H,(H,10,11)(H,12,13)(H,14,15);4-6H2,1-3H3
InChI Key:
LLHOOMQLXXSYCT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1C(=O)O)C(=O)O.CCN(CC)CC
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
311.334g/mol
Monoisotopic Mass:
311.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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