AG003O05

55726-23-3 | Behenic Anhydride

AG003O05

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CAS Number	55726-23-3
Catalog Number	AG003O05(AGN-PC-0JT055)
Chemical Name	Behenic Anhydride
IUPAC Name	docosanoyl docosanoate
InChI	InChI=1S/C44H86O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43(45)47-44(46)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3
InChI Key	IJVLPVWXJLKHID-UHFFFAOYSA-N
MDL Number	MFCD00010452
Molecular Formula	C44H86O3
Molecular Weight	663.1518
SMILES	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCCCCCC
Synonyms	Behenic Anhydride, Docosanoic anhydride, 55726-23-3, docosanoyl docosanoate, IJVLPVWXJLKHID-UHFFFAOYSA-N, Bisbehenic anhydride, AC1LBYXJ, AC1Q5XET, ACMC-1AW0O, SCHEMBL1627038, CTK5A4092, DTXSID20340713, ANW-32383, MFCD00010452, ZINC85649545, TC-121128, I14-60009, AR-1I6847, CID566696, B1531, 56187-37-2,

Complexity	563
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	662.658g/mol
Formal Charge	0
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	663.169g/mol
Monoisotopic Mass	662.658g/mol
Rotatable Bond Count	42
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	21

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number