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2D Structure
Also known as: Carbopol 941, 9062-04-8, Synthalen l, Carbomer-941, Carbopol 971p, Carbopol 981
Molecular Formula
C42H80O8
Molecular Weight
713.1  g/mol
InChI Key
JVTIXNMXDLQEJE-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-decanoyloxypropyl decanoate;2-octanoyloxypropyl octanoate
2.1.2 InChI
InChI=1S/C23H44O4.C19H36O4/c1-4-6-8-10-12-14-16-18-22(24)26-20-21(3)27-23(25)19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-18(20)22-16-17(3)23-19(21)15-13-11-9-7-5-2/h21H,4-20H2,1-3H3;17H,4-16H2,1-3H3
2.1.3 InChI Key
JVTIXNMXDLQEJE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCC.CCCCCCCC(=O)OCC(C)OC(=O)CCCCCCC
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Acrylic Acid, Polymers

2. Carbomer 934p

3. Carbomer 940

4. Carbomer Homopolymer Type C (allyl Pentaerythritol Crosslinked)

5. Carbomer-934

6. Carbopol 940

7. Carbopol 940, Ammonium Salt

8. Carbopol 940, Calcium Salt

9. Carbopol 941

10. Cavity Conditioner

11. Gc Conditioner

12. Hiviswako 105

13. Paa170

14. Paa20 Cpd

15. Paa60 Cpd

16. Poly(acrylic Acid)

17. Poly(sodium Acrylate)

18. Polyacrylate Sodium

19. Polyacrylic Acid

20. Sodium Polyacrylate

2.2.2 Depositor-Supplied Synonyms

1. Carbopol 941

2. 9062-04-8

3. Synthalen L

4. Carbomer-941

5. Carbopol 971p

6. Carbopol 981

7. Carbomer 941 [usan:nf]

8. 2-decanoyloxypropyl Decanoate;2-octanoyloxypropyl Octanoate

9. Decanoic Acid, 1-methyl-1,2-ethanediyl Ester Mixed With 1-methyl-1,2-ethanediyl Dioctanoate

2.3 Create Date
2015-08-01
3 Chemical and Physical Properties
Molecular Weight 713.1 g/mol
Molecular Formula C42H80O8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count38
Exact Mass712.58531951 g/mol
Monoisotopic Mass712.58531951 g/mol
Topological Polar Surface Area105 Ų
Heavy Atom Count50
Formal Charge0
Complexity656
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Dental Materials

Materials used in the production of dental bases, restorations, impressions, prostheses, etc. (See all compounds classified as Dental Materials.)