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26038-69-7 | 1,4-Cyclohexanedicarboxylic acid, compd. with 1,6-hexanediamine (1:1)
CAS No: 26038-69-7 Catalog No: AG002RGI MDL No:
Product Description
Catalog Number:
AG002RGI
Chemical Name:
1,4-Cyclohexanedicarboxylic acid, compd. with 1,6-hexanediamine (1:1)
CAS Number:
26038-69-7
Molecular Formula:
C14H28N2O4
Molecular Weight:
288.3831
IUPAC Name:
cyclohexane-1,4-dicarboxylic acid;hexane-1,6-diamine
InChI:
InChI=1S/C8H12O4.C6H16N2/c9-7(10)5-1-2-6(4-3-5)8(11)12;7-5-3-1-2-4-6-8/h5-6H,1-4H2,(H,9,10)(H,11,12);1-8H2
InChI Key:
HIBQVFMFYVZWNI-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(CC1)C(=O)O.NCCCCCCN
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.205g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
288.388g/mol
Monoisotopic Mass:
288.205g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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