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20116-32-9 | 1,1-Cyclopentanedicarboxylic acid, 3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-
CAS No: 20116-32-9 Catalog No: AG002D8Q MDL No:MFCD01320755
Product Description
Catalog Number:
AG002D8Q
Chemical Name:
1,1-Cyclopentanedicarboxylic acid, 3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-
CAS Number:
20116-32-9
Molecular Formula:
C13H13F9O4
Molecular Weight:
404.2255
MDL Number:
MFCD01320755
IUPAC Name:
3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)cyclopentane-1,1-dicarboxylic acid
InChI:
InChI=1S/C13H13F9O4/c1-5-2-9(7(23)24,8(25)26)3-6(5)4-10(14,15)11(16,17)12(18,19)13(20,21)22/h5-6H,2-4H2,1H3,(H,23,24)(H,25,26)
InChI Key:
ZRDCDISSPANBPT-UHFFFAOYSA-N
SMILES:
CC1CC(CC1CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(=O)O)C(=O)O
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.067g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
404.229g/mol
Monoisotopic Mass:
404.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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