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Home> Encyclopedia > Hot Product Listed 2   > 2-Propenoic acid,3-bicyclo[2.2.1]hept-5-en-2-yl-
67785-74-4 structure

2-Propenoic acid,3-bicyclo[2.2.1]hept-5-en-2-yl-

Iupac Name:11,11-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]undec-1-ene
CAS No.:67785-74-4
Molecular Weight:458.75926
Molecular Formula:C17H11CL3N2O (isomer)
Names and Identifiers
Synonyms

(2e)-3-{bicyclo[2.2.1]hept-5-en-2-yl}prop-2-enoic acid (2e)-3-bicyclo[2.2.1]hept-5-en-2-yl-2-propenoic acid (2e)-3-bicyclo[2.2.1]hept-5-en-2-yl-2-propenoic acid # 2-propenoic acid, 3-bicyclo[2.2.1]hept-5-en-2-yl- 3-(5-Norbornen-2-yl)acrylic acid 3-(bicyclo[2.2.1]hept-5-en-2-yl)acrylic acid 3-(bicyclo[2.2.1]hept-5-en-2-yl)prop-2-enoic acid 3-(Bicyclo[2.2.1]hept-5-en-2-yl)propenoic acid 3-(Norborn-5-en-2-yl)acrylic acid 5-NORBORNENE-2-ACRYLIC ACID 5-Norbornene-2-acrylicacid (8CI) AC1Q5T9I AC1Q71Y2 AK395373 AKOS027381451 norborn-5-en-2-acrylic acid norborn-5-en-2-ylacrylic acid Norborn-5-ene-2-acrylic acid PSQVRPSVCYLDTE-ONEGZZNKSA-N SCHEMBL600200

Inchi
InChI=1/C31H54O2/c1-8-9-10-11-12-13-14-15-22-31(32-25-23-29(6)20-16-18-27(2)3)33-26-24-30(7)21-17-19-28(4)5/h8,18-19,23-24,31H,1,9-17,20-22,25-26H2,2-7H3/b29-23+,30-24+
Canonical Smiles
CC(=CCCC(=CCOC(CCCCCCCCC=C)OCC=C(C)CCC=C(C)C)C)C
Isomers Smiles
CC(=CCC/C(=C/COC(OC/C=C(/CCC=C(C)C)\C)CCCCCCCCC=C)/C)C
Properties
Boiling Point
254.2°C at 760 mmHg
Refractive Index
1.48
Safety and Handling
Safety Statements
Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
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:458.75926g/mol
  • Molecular Formula:C17H11CL3N2O
  • Exact Mass:458.412381
  • Monoisotopic Mass:458.412381
  • Complexity:556
  • Rotatable Bond Count:21
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:18.5
  • Heavy Atom Count:33
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:2
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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