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Home> Hot Product Listed 1   > 1H-Indene-6-carboxaldehyde (9CI)
37220-17-0 structure

1H-Indene-6-carboxaldehyde (9CI)

CAS No.:37220-17-0
Molecular Weight:492.54862
Molecular Formula:C12H15NO5 (isomer)
Names and Identifiers
Synonyms

1h-indene-6-carbaldehyde 1h-indene-6-carboxaldehyde 3h-indene-5-carbaldehyde AK442882 AKOS027402178 CTK4E4263 DTXSID60665437 HE266259 KB-156804 SCHEMBL2856444 ZINC39061382

Inchi
InChI=1S/C20H25N6O2.CH4O4S/c1-15(22-11-12-26(2,3)4)16-5-7-18(8-6-16)23-24-20-10-9-19(25(27)28)13-17(20)14-21;1-5-6(2,3)4/h5-10,13,15,22H,11-12H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
Canonical Smiles
CC(C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)NCC[N+](C)(C)C.COS(=O)(=O)[O-]
Properties
Boiling Point
439.8°C at 760 mmHg
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 37220-17-0 EC: 1H-Indene-6-carboxaldehyde (9CI) ·ECHA C&L Inventory for CAS: CAS: 37220-17-0 EC: 1H-Indene-6-carboxaldehyde (9CI)
Computational chemical data
  • Molecular Weight:492.54862g/mol
  • Molecular Formula:C12H15NO5
  • Exact Mass:492.179103
  • Monoisotopic Mass:492.179103
  • Complexity:670
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:181
  • Heavy Atom Count:34
  • 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:2
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