AG00332P

56674-87-4 | 4-Oxoadamantane-1-carboxylic acid

AG00332P

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CAS Number	56674-87-4
Catalog Number	AG00332P(AGN-PC-0JW5EV)
Chemical Name	4-Oxoadamantane-1-carboxylic acid
IUPAC Name	4-oxoadamantane-1-carboxylic acid
InChI	InChI=1S/C11H14O3/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14/h6-8H,1-5H2,(H,13,14)
InChI Key	VFNJWHFPIRNNRQ-UHFFFAOYSA-N
MDL Number	MFCD01825769
Molecular Formula	C11H14O3
Molecular Weight	194.2271
SMILES	O=C1C2CC3(CC(CC1C3)C2)C(=O)O
Synonyms	4-Oxoadamantane-1-carboxylic acid, 56674-87-4, 2-Adamantanone-5-carboxylic acid, 4-OXO-1-ADAMANTANECARBOXYLIC ACID, 2-Adamantone-5-carboxylic acid, VFNJWHFPIRNNRQ-UHFFFAOYSA-N, GEO-03027, AK-35668, Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 4-oxo-, ChemDiv3_000437, 1-carboxy-4-adamantanone, 1-carboxyadamantan-4-one, 1-Carboxy-4-oxoadamantane, AC1MDT45, Oprea1_199202, KSC605K5F, SCHEMBL328950, CTK5A5552, 4-Oxo-1-adamantanecarboxylicAcid, 4-Oxoadamantan-1-carboxylic acid, DTXSID80385706, 4-Keto-1-adamantanecarboxylicacid, HMS1474D19, 4-Oxo-adamantane-1-carboxylic acid, ALBB-013717, KS-00000C4N, ZX-AN012486, ZX-AT015600, ZX-CM015479, AKOS001031984, AKOS016344196, CA-1823, CS-W001595, FCH1196721, FS-3056, MCULE-9576516239, OR42019, RP07402, TRA0095559, NCGC00174864-01, NCGC00174864-02, AN-40114, BR-35668, SY021305, AB0025552, AX8098289, TC-307732, AM20070535, BB 0259746, FT-0650477, W7035, S-5213, AB01225109-03, MFCD01825769 (95+%), SR-01000400502, I04-1184, J-515913, SR-01000400502-1, BRD-A69621249-001-01-7, tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid, 4-oxo-, 5-bromopyridine-2-thiol, 5-Carboxy-2-Adamantanone, C11H14O3, ACN-037065, CID2842515, 13478-10-9, 57381-51-8,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.094g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.23g/mol
Monoisotopic Mass	194.094g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number