AG003PX5

42235-38-1 | Eicosanedioic acid dimethyl ester

AG003PX5

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CAS Number	42235-38-1
Catalog Number	AG003PX5(AGN-PC-0WG3KQ)
Chemical Name	Eicosanedioic acid dimethyl ester
IUPAC Name	dimethyl icosanedioate
InChI	InChI=1S/C22H42O4/c1-25-21(23)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(24)26-2/h3-20H2,1-2H3
InChI Key	PODMJVMUYCFFMK-UHFFFAOYSA-N
MDL Number	MFCD00059302
Molecular Formula	C22H42O4
Molecular Weight	370.5665
SMILES	O=C(OC)CCCCCCCCCCCCCCCCCCC(OC)=O
Synonyms	Dimethyl icosanedioate, 42235-38-1, Eicosanedioic Acid Dimethyl Ester, Icosanedioic Acid Dimethyl Ester, Dimethyl Eicosanedioate, AC1LBYVG, ACMC-1AMBH, Dimethyl icosanedioate #, AC1Q5ZZS, SCHEMBL495288, Dimethyl eicosanedioate; >95%, CTK4I5903, DTXSID10340707, PODMJVMUYCFFMK-UHFFFAOYSA-N, Eicosanebioic acid, dimethyl ester, ANW-29773, MFCD00059302, ZINC15149612, ACM42235381, TC-118518, E0330, FT-0756671, C-46520, I14-108258, EICOSANEDIOICACIDDIMETHYLESTER, AR-1I5674, CID566668, 4269-98-1,

Complexity	296
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	370.308g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	370.574g/mol
Monoisotopic Mass	370.308g/mol
Rotatable Bond Count	21
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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