AC1O5C5B structure

AC1O5C5B

2,3-bis[[(E)-12-hydroxyoctadec-9-enoyl]oxy]propyl (E)-12-hydroxyoctadec-9-enoate;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

Also Known As: (C57-H104-O9.C15-H10-N2-O2)x-|Glyceryl triricinoleate, 4,4'-diphenylmethane diisocyanate polymer|2,3-bis[[(E)-12-hydroxyoctadec-9-enoyl]oxy]propyl (E)-12-hydroxyoctadec-9-enoate; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene|9-Octadecenoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester, (9Z,9'Z,9''Z,12R,12'R,12''R)-, polymer with 1,1'-methylenebis[4-isocyanatobenzene]|9-Octadecenoic acid, 12-hydroxy-, 1,1',1''-(1,2,3-propanetriyl) ester, (9Z,9'Z,9''Z,12R,12'R,12''R)-, polymer with 1,1'-methylenebis(4-isocyanatobenzene)|9-Octadecenoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester, (9Z,9'Z,9''Z,12R,12'R,12''R)-, polymer with 1,1'-methylenebis(4-isocyanatobenzene)|9-Octadecenoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester, [R-[R*,R*,R*-(Z,Z,Z)]]-, polymer with 1,1'-methylenebis[4-isocyanatobenzene]

CAS: 68170-35-4
Molecular Formula C72H114N2O11
Molecular Weight 1182.8423 g/mol
LogP 18.2215
Topological Polar Surface Area 198.45 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 13
Rotatable Bonds 54
Exact Mass 1182.8423
Monoisotopic Mass 1182.8423
Heavy Atoms 85
Complexity 1990.2466

Chemical Identifiers

CAS Number 68170-35-4
SMILES CCCCCCC(O)C/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CC(O)CCCCCC)COC(=O)CCCCCCC/C=C/CC(O)CCCCCC.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O

Product Overview

AC1O5C5B (CAS 68170-35-4), with molecular formula C72H114N2O11 and molecular weight 1182.8423 g/mol. IUPAC: 2,3-bis[[(E)-12-hydroxyoctadec-9-enoyl]oxy]propyl (E)-12-hydroxyoctadec-9-enoate;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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