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4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic acid

4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic acid - CAS 27854-30-4

Catalog:	BB019687
Product Name:	4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic acid
CAS:	27854-30-4
Synonyms:	4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoic acid
Description:	4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononanoic acid (CAS# 27854-30-4 ) is a useful research chemical.
Molecular Weight:	392.11
Molecular Formula:	C9H5F13O2
Canonical SMILES:	C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI:	InChI=1S/C9H5F13O2/c10-4(11,2-1-3(23)24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2H2,(H,23,24)
InChI Key:	AAEJJSZYNKXKSW-UHFFFAOYSA-N
Boiling Point:	117 °C
Density:	1.614 g/cm³
MDL:	MFCD00077579
LogP:	4.59000

Publication Number	Title	Priority Date
CA-3050505-A1	Articles and compositions comprising host polymers and chromophores and methods of producing the same	20180807
EP-3613810-A1	Articles and compositions comprising host polymers and chromophores and methods of producing the same	20180807
JP-2020030405-A	Articles and compositions comprising host polymers and chromophores and methods of making them	20180807
US-2020048428-A1	Articles and compositions comprising host polymers and chromophores and methods of producing the same	20180807
KR-20200009803-A	Surface energy controlled photoresponsive chiral dopants for cholesteric liquid crystal composition	20180720

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	478
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	392.0081955
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	15
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	392.0081955
Rotatable Bond Count:	7
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5