AG007XHZ

15448-76-7 | Dimethyl bicyclo[2.2.1]heptane-1,4-dicarboxylate

AG007XHZ

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CAS Number	15448-76-7
Catalog Number	AG007XHZ(AGN-PC-00NHEI)
Chemical Name	Dimethyl bicyclo[2.2.1]heptane-1,4-dicarboxylate
IUPAC Name	dimethyl bicyclo[2.2.1]heptane-1,4-dicarboxylate
InChI	InChI=1S/C11H16O4/c1-14-8(12)10-3-5-11(7-10,6-4-10)9(13)15-2/h3-7H2,1-2H3
InChI Key	UBGSPDWVUMFEAZ-UHFFFAOYSA-N
MDL Number	MFCD23701447
Molecular Formula	C11H16O4
Molecular Weight	212.2423
SMILES	COC(=O)C12CCC(CC1)(C2)C(=O)OC
Synonyms	15448-76-7, DIMETHYL BICYCLO[2.2.1]HEPTANE-1,4-DICARBOXYLATE, 1,4-dimethyl bicyclo[2.2.1]heptane-1,4-dicarboxylate, Dimethyl bicyclo[2.2.1]heptane-1,4-carboxylate, dimethyl bicyclo(2.2.1)heptane-1,4-dicarboxylate, SCHEMBL1537011, SCHEMBL16875246, CTK8C4338, DTXSID80545505, UBGSPDWVUMFEAZ-UHFFFAOYSA-N, 7755AA, ANW-71600, MFCD23701447, ZINC85224624, AKOS016007414, SB12249, KS-000004N2, AK-77491, DS-17170, bicyclo[2.2.1]heptane-1,4-dicarboxylate, AJ-127565, TC-160345, CS-0029896, dimethylbicyclo[2.2.1]heptane-1,4-dicarboxylate, Bicyclo[2.2.1]heptane-1,4-dicarboxylic acid dimethyl ester, Bicyclo[2.2.1]heptane-1,4-dicarboxylic acid, dimethyl ester, C11H16O4,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.105g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.245g/mol
Monoisotopic Mass	212.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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