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1652-47-7 | Glutaric acid, hexafluoro-, compd. with piperazine (1:1) (8CI)
CAS No: 1652-47-7 Catalog No: AG001VZW MDL No:
Product Description
Catalog Number:
AG001VZW
Chemical Name:
Glutaric acid, hexafluoro-, compd. with piperazine (1:1) (8CI)
CAS Number:
1652-47-7
Molecular Formula:
C9H12F6N2O4
Molecular Weight:
326.1930
IUPAC Name:
2,2,3,3,4,4-hexafluoropentanedioic acid;piperazine
InChI:
InChI=1S/C5H2F6O4.C4H10N2/c6-3(7,1(12)13)5(10,11)4(8,9)2(14)15;1-2-6-4-3-5-1/h(H,12,13)(H,14,15);5-6H,1-4H2
InChI Key:
GSECXJTYDWVKMV-UHFFFAOYSA-N
SMILES:
N1CCNCC1.OC(=O)C(C(C(C(=O)O)(F)F)(F)F)(F)F
NSC Number:
91074
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.07g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
326.195g/mol
Monoisotopic Mass:
326.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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