AG0033TJ

18720-35-9 | 4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic Acid

AG0033TJ

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CAS Number	18720-35-9
Catalog Number	AG0033TJ(AGN-PC-05F9ZZ)
Chemical Name	4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic Acid
IUPAC Name	4-methoxycarbonylbicyclo[2.2.2]octane-1-carboxylic acid
InChI	InChI=1S/C11H16O4/c1-15-9(14)11-5-2-10(3-6-11,4-7-11)8(12)13/h2-7H2,1H3,(H,12,13)
InChI Key	KBZVAQVEHVGIEI-UHFFFAOYSA-N
MDL Number	MFCD18459359
Molecular Formula	C11H16O4
Molecular Weight	212.2423
SMILES	COC(=O)C12CCC(CC1)(CC2)C(=O)O
Synonyms	4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid, 18720-35-9, BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLIC ACID MONOMETHYL ESTER, KBZVAQVEHVGIEI-UHFFFAOYSA-N, SCHEMBL646389, CTK0H3621, DTXSID60453033, BCP08380, ANW-47595, MFCD18459359, SBB053527, ZINC20357948, AKOS005145885, AKOS015920349, AN-3775, CM-1742, CS-W001270, GS-3863, LS40777, MB06047, TRA0031902, AC-25478, AJ-77208, AK-28940, BR-28940, SC-49646, SY024675, AB0023054, RT-025028, ST2411015, 4CH-007083, A4142, FT-0649016, M2855, W4039, MFCD18459359 (95%), S-6480, 720B359, 720M359, A1-01463, Bicyclo[2.2.2]octane-1,4-dicarboxylic acidhemimeth, J-012047, S14-0889, 4-(methoxycarbonyl)bicyclo[2.2.2]octanecarboxylic acid, 4-methoxycarbonylbicyclo[2.2.2]octane-1-carboxylic acid, Methyl hydrogen bicyclo[2,2,2]octane-1,4-dicarboxylate, Methyl hydrogen bicyclo[2.2.2]octane-1,4-dicarboxylate, Z2213893309, 4-(Methoxycarbonyl)bicyclo[2.2.2]octan-1-carboxylic Acid, Bicyclo[2.2.2]octane-1,4-dicarboxylic acid 4-methyl ester, Monomethyl Hydrogen Bicyclo[2.2.2]octane-1,4-dicarboxylate, 4-(methoxycarbonyl) bicyclo[2.2.2]octane-1-carboxylic acid, Bicyclo-[2.2.2]octane-1,4-dicarboxylic acid monomethyl ester, 4-(METHOXYCARBONYL)BICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACI, 4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid, AldrichCPR, BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLIIC ACID HEMIMETHYL ESTER, C11H16O4, ACN-050094, CID11042062, Bicyclo[2,2,2]octane-1,4-dicarboxylic acid monomethyl ester, 1-methoxycarbonylbicyclo[2.2.2]octane-4-carboxylic Acid, Bicyclo[2,2,2]octane-1,4-dicarboxylic acid monomethyl ester, 98% - 500G 500g,

Complexity	283
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	1
Isotope Atom Count	0
Molecular Weight	212.245g/mol
Monoisotopic Mass	212.105g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319
Packing Group	Ⅲ
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code	UN 2811

Certificate of Analysis

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