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Home> Hot Product Listed M   > MOLPORT-006-390-563
786-66-3 structure

MOLPORT-006-390-563

Iupac Name:15,16-dihydrocyclopenta[a]phenanthren-17-one
CAS No.:786-66-3
Molecular Weight:232.282
Molecular Formula:C20H23N5O (isomer)
Names and Identifiers
Synonyms

7-(isopropoxycarbonyl)tricyclo[3.2.2.0(2),?]non-8-ene-6-carboxylic acid 7-(isopropoxycarbonyl)tricyclo[3.2.2.0^{2,4}]non-8-ene-6-carboxylic acid 7-(isopropoxycarbonyl)tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid AKOS005172688 ALBB-010557 mfcd12197706 SBB050439 tricyclo[3.2.2.0~2,4~]non-8-ene-6,7-dicarboxylic acid, mono(1-methylethyl) ester zx-an009394

Inchi
InChI=1S/C17H12O/c18-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)17/h1-8H,9-10H2
InChkey
HODITXUVHFRFCL-UHFFFAOYSA-N
Canonical Smiles
C1CC(=O)C2=C1C3=C(C=C2)C4=CC=CC=C4C=C3
Properties
Refractive Index
1.744
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:232.282g/mol
  • Molecular Formula:C20H23N5O
  • Compound Is Canonicalized:True
  • Exact Mass:232.089
  • Monoisotopic Mass:232.089
  • Complexity:348
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:18
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccB4IAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDBVAAAGgAAAAAADASAmAAwAMAAAACI AqBSAAACAAAkAAAIiAEAAMgIIDKAFRCAIQAggAAIiYcIiMCOwAACAAAQAACAAAQAACAAAAAACAAA AA==
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  • Tel:1-631-5046093
  • Fax:1-631-6147828
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  • Tel:86-574-88139809 86-574-83033159
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