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13044-03-6 | 1,4-Cyclohexanedicarboxylic acid, dihydrazide, trans- (8CI,9CI)
CAS No: 13044-03-6 Catalog No: AG000UG2 MDL No:
Product Description
Catalog Number:
AG000UG2
Chemical Name:
1,4-Cyclohexanedicarboxylic acid, dihydrazide, trans- (8CI,9CI)
CAS Number:
13044-03-6
Molecular Formula:
C8H16N4O2
Molecular Weight:
200.2382
IUPAC Name:
cyclohexane-1,4-dicarbohydrazide
InChI:
InChI=1S/C8H16N4O2/c9-11-7(13)5-1-2-6(4-3-5)8(14)12-10/h5-6H,1-4,9-10H2,(H,11,13)(H,12,14)
InChI Key:
LPLAXQKUDSKKAU-UHFFFAOYSA-N
SMILES:
NNC(=O)[C@@H]1CC[C@H](CC1)C(=O)NN
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.127g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
200.242g/mol
Monoisotopic Mass:
200.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
Literature
| Title | Journal |
|---|---|
| Chemotherapy of experimental tuberculosis. V. Isonicotinic acid hydrazide (nydrazid) and related compounds. | American review of tuberculosis 19520401 |
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