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812-87-3 | 7h-dodecafluoroheptanealdehyde hydrate
CAS No: 812-87-3 Catalog No: AG005LEG MDL No:MFCD00155770
Product Description
Catalog Number:
AG005LEG
Chemical Name:
7h-dodecafluoroheptanealdehyde hydrate
CAS Number:
812-87-3
Molecular Formula:
C7H4F12O2
Molecular Weight:
348.0863
MDL Number:
MFCD00155770
IUPAC Name:
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptane-1,1-diol
InChI:
InChI=1S/C7H4F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1-2,20-21H
InChI Key:
CTPJWMXVKNDLCK-UHFFFAOYSA-N
SMILES:
O=CC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.002g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.088g/mol
Monoisotopic Mass:
348.002g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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