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13252-14-7 | Propanoic acid, 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-
CAS No: 13252-14-7 Catalog No: AG0010SA MDL No:MFCD00236701
Product Description
Catalog Number:
AG0010SA
Chemical Name:
Propanoic acid, 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-
CAS Number:
13252-14-7
Molecular Formula:
C9HF17O4
Molecular Weight:
496.0747
MDL Number:
MFCD00236701
IUPAC Name:
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoic acid
InChI:
InChI=1S/C9HF17O4/c10-2(1(27)28,5(14,15)16)29-9(25,26)4(13,7(20,21)22)30-8(23,24)3(11,12)6(17,18)19/h(H,27,28)
InChI Key:
OIVQVBDAMYDDEM-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
EC Number:
236-237-3
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.96g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
496.076g/mol
Monoisotopic Mass:
495.96g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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