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Home> Hot Product Listed C   > Cyclohept[e]indene-3,4-diol,3,3a,4,5,5a,6,9,10,10a,10b-decahydro-3a,5a,8-trimethyl-1-(1-methylethyl)...
9004-34-6 structure

Cyclohept[e]indene-3,4-diol,3,3a,4,5,5a,6,9,10,10a,10b-decahydro-3a,5a,8-trimethyl-1-(1-methylethyl)-,(3S,3aR,4S,5aR,10aR,10bS)-

CAS No.:9004-34-6
Molecular Weight:336.36122
Molecular Formula:C14H14O4 (isomer)
Names and Identifiers
Synonyms

(3s,3ar,4s,5ar,10ar,10bs)-1-isopropyl-3a,5a,8-trimethyl-3h,4h,5h,6h,9h,10h,10ah,10bh-cyclohepta[e]indene-3,4-diol AC1LA3H0 cyanthiwigin d cyclohept(e)indene-3,4-diol, 3,3a,4,5,5a,6,9,10,10a,10b-decahydro-3a,5a,8-trimethyl-1-(1-methylethyl)-, (3s,3ar,4s,5ar,10ar,10bs)- cyclohept[e]indene-3,4-diol, 3,3a,4,5,5a,6,9,10,10a,10b-decahydro-3a,5a,8-trimethyl-1-(1-methylethyl)-, (3s,3ar,4s,5ar,10ar,10bs)- Cyclohept[e]indene-3,4-diol,3,3a,4,5,5a,6,9,10,10a,10b-decahydro-3a,5a,8-trimethyl-1-(1-methylethyl)-,[3S-(3a,3aa,4b,5aa,10ab,10ba)]-

Inchi
InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
InChkey
YBHILYKTIRIUTE-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Properties
Melting Point
260-270
Refractive Index
n20/D 1.504
Flash Point
32°C
HS Code
39129090
Safety and Handling
Risk Statements
37
Safety Statements
S24/25
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

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:336.36122g/mol
  • Molecular Formula:C14H14O4
  • Exact Mass:336.123583
  • Monoisotopic Mass:336.123583
  • Complexity:488
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:40.8
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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