AG002F03

19102-90-0 | Hexadecanedioic acid, 1,16-dimethyl ester

AG002F03

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CAS Number	19102-90-0
Catalog Number	AG002F03(AGN-PC-0JMRDE)
Chemical Name	Hexadecanedioic acid, 1,16-dimethyl ester
IUPAC Name	dimethyl hexadecanedioate
InChI	InChI=1S/C18H34O4/c1-21-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)22-2/h3-16H2,1-2H3
InChI Key	MQIZSSSBYFJIJF-UHFFFAOYSA-N
MDL Number	MFCD00039806
Molecular Formula	C18H34O4
Molecular Weight	314.4602
SMILES	C(CCCCCCCCCCCCCCC(=O)OC)(=O)OC
Synonyms	Dimethyl hexadecanedioate, 19102-90-0, Hexadecanedioic acid, dimethyl ester, Hexadecanedioic Acid Dimethyl Ester, MQIZSSSBYFJIJF-UHFFFAOYSA-N, Hexadecanedioic acid,1,16-dimethyl ester, Dimethyl thapsate, Dimethylhexadecanedioate, AC1L3H1L, ACMC-1C41N, Thapsic acid, dimethyl ester, SCHEMBL494569, CTK4E0568, DTXSID30172628, Hexadecadioic acid, dimethyl ester, Hexadecandioic acid, dimethyl ester, ZINC5996912, 6481AF, ANW-23513, MFCD00039806, AKOS027430441, ACM19102900, Hexadecanedioic acid, 1,16-dimethyl ester, DB-044753, TC-112258, D3554, FT-0637791, 1,14-Tetradecanedicarboxylic acid dimethyl ester, C-51187, I14-106835, C18H34O4, CID140477,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	314.246g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	314.466g/mol
Monoisotopic Mass	314.246g/mol
Rotatable Bond Count	17
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number