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Home > Fluorides > 123334-02-1
123334-02-1 | Hexanedioic acid, 2,2,3,3,4,4,5,5-octafluoro-, hydrate (1:?)
CAS No: 123334-02-1 Catalog No: AG000KDD MDL No:
Product Description
Catalog Number:
AG000KDD
Chemical Name:
Hexanedioic acid, 2,2,3,3,4,4,5,5-octafluoro-, hydrate (1:?)
CAS Number:
123334-02-1
Molecular Formula:
C6H4F8O5
Molecular Weight:
308.0802
IUPAC Name:
2,2,3,3,4,4,5,5-octafluorohexanedioic acid;hydrate
InChI:
InChI=1S/C6H2F8O4.H2O/c7-3(8,1(15)16)5(11,12)6(13,14)4(9,10)2(17)18;/h(H,15,16)(H,17,18);1H2
InChI Key:
PYKYYOSVJRAVGQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F.O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.993g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
308.08g/mol
Monoisotopic Mass:
307.993g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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