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Home> Hot Product Listed D   > Diphenanthro[9,10-b:9',10'-e][1,4]dioxin-3,12-diol,4b,5,6,7,8,8a,8b,9a,13b,14,15,16,17,17a,17b,18a-h...
338-03-4 structure

Diphenanthro[9,10-b:9',10'-e][1,4]dioxin-3,12-diol,4b,5,6,7,8,8a,8b,9a,13b,14,15,16,17,17a,17b,18a-hexadecahydro-4b,8,8,13b,17,17-hexamethyl-2,11-bis(1-methylethyl)-,(4bS,8aS,8bR,9aR,13bS,17aS,17bR,18aR)- (9CI)

Iupac Name:4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid
CAS No.:338-03-4
Molecular Weight:172.103
Molecular Formula:C11H16O4 (isomer)
Names and Identifiers
Synonyms

Diphenanthro[9,10-b:9',10'-e][1,4]dioxin-3,12-diol,4b,5,6,7,8,8a,8b,9a,13b,14,15,16,17,17a,17b,18a-hexadecahydro-4b,8,8,13b,17,17-hexamethyl-2,11-bis(1-methylethyl)-,[4bS-(4ba,8ab,8ba,9ab,13ba,17ab,17ba,18ab)]- Formosaninol

Inchi
InChI=1S/C5H7F3O3/c1-4(11,2-3(9)10)5(6,7)8/h11H,2H2,1H3,(H,9,10)
InChkey
JCJGOWYCFRASTM-UHFFFAOYSA-N
Canonical Smiles
CC(CC(=O)O)(C(F)(F)F)O
Properties
Density
1.38
Refractive Index
1.3880
HS Code
2918199090
Safety and Handling
Risk Statements
R34
Safety Statements
S26;S36/37/39;S45
HazardClass
8
PackingGroup
II
Transport
UN3265
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:172.103g/mol
  • Molecular Formula:C11H16O4
  • Compound Is Canonicalized:True
  • Exact Mass:172.035
  • Monoisotopic Mass:172.035
  • Complexity:165
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:57.5A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBgMYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGwAACAAADESAgBACCAAAAgAI AACQCAAAAAAAAAAAAAEAAAAAABQAAAAAQAAFIAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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