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869848-17-9 | 1,4-Cyclohexanedicarboxylic acid, trans-, compd. with 4,4'-bipyridine(1:1)
CAS No: 869848-17-9 Catalog No: AG004NX5 MDL No:
Product Description
Catalog Number:
AG004NX5
Chemical Name:
1,4-Cyclohexanedicarboxylic acid, trans-, compd. with 4,4'-bipyridine(1:1)
CAS Number:
869848-17-9
Molecular Formula:
C18H20N2O4
Molecular Weight:
328.3624
IUPAC Name:
cyclohexane-1,4-dicarboxylic acid;4-pyridin-4-ylpyridine
InChI:
InChI=1S/C10H8N2.C8H12O4/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-8H;5-6H,1-4H2,(H,9,10)(H,11,12)
InChI Key:
GFHIVXOFKOIDNC-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1ccncc1.OC(=O)[C@@H]1CC[C@H](CC1)C(=O)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.368g/mol
Monoisotopic Mass:
328.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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