AG003RAC

2442-49-1 | Lignoceric acid methyl ester

AG003RAC

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CAS Number	2442-49-1
Catalog Number	AG003RAC(AGN-PC-0JLPFH)
Chemical Name	Lignoceric acid methyl ester
EC Number	219-475-2
IUPAC Name	methyl tetracosanoate
InChI	InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3
InChI Key	XUDJZDNUVZHSKZ-UHFFFAOYSA-N
MDL Number	MFCD00009351
Molecular Formula	C25H50O2
Molecular Weight	382.6633
SMILES	CCCCCCCCCCCCCCCCCCCCCCCC(OC)=O
UNII	HY5564B8FX
Synonyms	methyl tetracosanoic acid, tetracosanoic acid methyl ester, Methyl tetracosanoate, 2442-49-1, Methyl lignocerate, Lignoceric acid methyl ester, Tetracosanoic acid, methyl ester, Tetracosanoic Acid Methyl Ester, Methyl tetracosanoic acid, UNII-HY5564B8FX, lignoceric methyl ester, Tetracosanoic acid,methyl ester, HY5564B8FX, MFCD00009351, LIGNOCERICACIDMETHYLESTER, EINECS 219-475-2, Tetracosanoic acid methyl, AC1L2OZS, AC1Q5ZZV, ACMC-209gc6, SCHEMBL863540, Tetracosanoic acid-methyl ester, CTK4F3641, DTXSID50179174, A(3/4)A Ea(1/4)xo yen, CDAA-251024M, CHEBI:143590, XUDJZDNUVZHSKZ-UHFFFAOYSA-N, ANW-25444, ZINC70455481, AKOS015903349, ACM2442491, MCULE-1816610433, TRA-0198473, Methyl tetracosanoate, analytical standard, Tetracosanoic acid methyl ester (FAME MIX), TR-031821, FT-0634286, L0112, ST51037321, X3549, Methyl tetracosanoate, >=99.0% (capillary GC), A817629, C-24772, J-015516, I14-18635, 2450B6FA-63F4-4631-86DE-6CDF98A1449A, C25H50O2, CID75546, AR-1J5863, C25-H50-O2, 2507-61-1,

Complexity	288
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	382.381g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	382.673g/mol
Monoisotopic Mass	382.381g/mol
Rotatable Bond Count	23
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	12.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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