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Home> Encyclopedia > Hot Product Listed 5   > 5-Heptenoic acid,7-[(1R,2R,3R,4S)-3-[1-[2-[(phenylamino)thioxomethyl]hydrazinylidene]ethyl]bicyclo[2...
22244-18-4 structure

5-Heptenoic acid,7-[(1R,2R,3R,4S)-3-[1-[2-[(phenylamino)thioxomethyl]hydrazinylidene]ethyl]bicyclo[2.2.1]hept-2-yl]-,(5Z)-rel-

CAS No.:22244-18-4
Molecular Weight:220.26764
Molecular Formula:C10H7NO3 (isomer)
Names and Identifiers
Synonyms

5-Heptenoic acid, 7-[3-[1-[[(phenylamino)thioxomethyl]hydrazono]ethyl]bicyclo[2.2.1]hept-2-yl]-,[1a,2b(Z),3a,4a]- 5-Heptenoic acid,7-[3-[1-[[(phenylamino)thioxomethyl]hydrazono]ethyl]bicyclo[2.2.1]hept-2-yl]-,[1a,2b(Z),3a,4a]-(?à)- 5-Heptenoicacid, 7-[(1R,2R,3R,4S)-3-[1-[[(phenylamino)thioxomethyl]hydrazono]ethyl]bicyclo[2.2.1]hept-2-yl]-,(5Z)-rel- (9CI) EP 092

Inchi
InChI=1/C12H16N2O2/c1-2-7-13-12(15)11-8-14-9-5-3-4-6-10(9)16-11/h3-6,11,14H,2,7-8H2,1H3,(H,13,15)/t11-/m1/s1
Canonical Smiles
CCCNC(=O)C1CNC2=CC=CC=C2O1
Isomers Smiles
CCCNC(=O)[C@H]1CNC2=CC=CC=C2O1
Properties
Density
1.31
Boiling Point
522.4°Cat760mmHg
Vapour
2.56E-08mmHg at 25°C
Refractive Index
1.531
Flash Point
417.7°C
Computational chemical data
  • Molecular Weight:220.26764g/mol
  • Molecular Formula:C10H7NO3
  • Exact Mass:220.121178
  • Monoisotopic Mass:220.121178
  • Complexity:245
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:50.4
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:1
  • 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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Recommended Suppliers
  • Tel:86-25-83697070
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