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650631-76-8 | Nonanedioic acid, compd. with 1,4-diazabicyclo[2.2.2]octane (1:1)
CAS No: 650631-76-8 Catalog No: AG006TGU MDL No:
Product Description
Catalog Number:
AG006TGU
Chemical Name:
Nonanedioic acid, compd. with 1,4-diazabicyclo[2.2.2]octane (1:1)
CAS Number:
650631-76-8
Molecular Formula:
C15H28N2O4
Molecular Weight:
300.3938
IUPAC Name:
1,4-diazabicyclo[2.2.2]octane;nonanedioic acid
InChI:
InChI=1S/C9H16O4.C6H12N2/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-2-8-5-3-7(1)4-6-8/h1-7H2,(H,10,11)(H,12,13);1-6H2
InChI Key:
JEDRSDBIEPEHSQ-UHFFFAOYSA-N
SMILES:
C1CN2CCN1CC2.OC(=O)CCCCCCCC(=O)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.205g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.399g/mol
Monoisotopic Mass:
300.205g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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