AG0030T4

3068-02-8 | Decahydro-2,6-Naphthalenedicarboxylic Acid Dimethyl Ester

AG0030T4

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CAS Number	3068-02-8
Catalog Number	AG0030T4(AGN-PC-0R63TS)
Chemical Name	Decahydro-2,6-Naphthalenedicarboxylic Acid Dimethyl Ester
IUPAC Name	dimethyl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-dicarboxylate
InChI	InChI=1S/C14H22O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h9-12H,3-8H2,1-2H3
InChI Key	XYHMJVZAEWACCS-UHFFFAOYSA-N
MDL Number	MFCD11042680
Molecular Formula	C14H22O4
Molecular Weight	254.3221
SMILES	COC(C1CCC2CC(C(OC)=O)CCC2C1)=O
Synonyms	3068-02-8, Decahydro-2,6-naphthalenedicarboxylic Acid Dimethyl Ester, Dimethyl decahydro-2,6-naphthalenedicarboxylate (mixture of isomers), dimethyl decahydronaphthalene-2,6-dicarboxylate, DMHN, ACMC-1CK51, SCHEMBL593637, DTXSID00463454, XYHMJVZAEWACCS-UHFFFAOYSA-N, MFCD11042680, TRA0067116, TC-167305, D3745, Dimethyl Decahydro-2,6-naphthalenedicarboxylate, I14-56526, 2,6-naphthalenedicarboxylic acid, decahydro-, dimethyl ester, 1,2-Difluorotetrachloroethane, CID11357248, Decahydro-2,6-naphthalenedicarboxylicAcidDimethylEster, Dimethyl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-dicarboxylate,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.152g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.326g/mol
Monoisotopic Mass	254.152g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	4
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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