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BISPHENOL ''A'' DIACRYLATE structure

BISPHENOL ''A'' DIACRYLATE

 
1. Names and Identifiers
1.1 Name
BISPHENOL ''A'' DIACRYLATE
1.2 Synonyms
2-Propenoic acid, (1-methylethylidene)di-4,1-phenylene ester; 2-Propenoic acid, 1,1'-[(1-methylethylidene)di-4,1-phenylene] ester; BISPHENOL A DIACRYLATE; Propane-2,2-diylbis(4,1-phenylene) diacrylate;
1.3 CAS No.
4491-03-6
1.4 CID
10131842
1.5 Molecular Formula
C21H20O4
1.6 Inchi
InChI=1S/C21H20O4/c1-5-19(22)24-17-11-7-15(8-12-17)21(3,4)16-9-13-18(14-10-16)25-20(23)6-2/h5-14H,1-2H2,3-4H3
1.7 InChkey
FHLPGTXWCFQMIU-UHFFFAOYSA-N
1.8 Canonical Smiles
CC(C)(C1=CC=C(C=C1)OC(=O)C=C)C2=CC=C(C=C2)OC(=O)C=C
1.9 Isomers Smiles
CC(C)(C1=CC=C(C=C1)OC(=O)C=C)C2=CC=C(C=C2)OC(=O)C=C
2. 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

3. NMR Spectrum
13C NMR : Predict  
1H NMR : Predict  
4. Synthesis Route
4491-03-6Total: 1 Synthesis Route
 
80-05-7
80-05-7 339 Suppliers
 
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814-68-6 181 Suppliers
 
4491-03-6
4491-03-6 5 Suppliers
5. Precursor and Product
precursor:
6. Computed Properties
  • Molecular Weight:336.38g/mol
  • Molecular Formula:C21H20O4
  • Compound Is Canonicalized:True
  • Exact Mass:5.4
  • XLogP3-AA:336.13615911
  • Monoisotopic Mass:336.13615911
  • Complexity:448
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6
  • 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
  • CACTVS Substructure Key Fingerprint:AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAAAAAADgSAmAAyDoAABACIAiDSCAACCAAgIAAIiAAGCMgMJiKEMRqCOiCkwBEIqIeAwPAPoAAAAAAAAABAAAAAAAAAAAAAAAAAAA==
7. Toltal 4 Suppliers View more
Tel: Update Time:2024/06/17
Tel: Update Time:2019/04/01
Tel: Update Time:2019/11/25
Tel: Update Time:2022/01/01
8. Realated Product Infomation
 
 
 
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