AG002M38

23062-53-5 | Bicyclo[2.2.2]octane-1-carboxylic acid, 4-hydroxy-, methyl ester

AG002M38

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CAS Number	23062-53-5
Catalog Number	AG002M38(AGN-PC-0NJEL6)
Chemical Name	Bicyclo[2.2.2]octane-1-carboxylic acid, 4-hydroxy-, methyl ester
IUPAC Name	methyl 4-hydroxybicyclo[2.2.2]octane-1-carboxylate
InChI	InChI=1S/C10H16O3/c1-13-8(11)9-2-5-10(12,6-3-9)7-4-9/h12H,2-7H2,1H3
InChI Key	LUBWUSMZFMBOIQ-UHFFFAOYSA-N
MDL Number	MFCD22689519
Molecular Formula	C10H16O3
Molecular Weight	184.2322
SMILES	O=C(C1(CC2)CCC2(O)CC1)OC
Synonyms	methyl 4-hydroxybicyclo[2.2.2]octane-1-carboxylate, 23062-53-5, Bicyclo[2.2.2]octane-1-carboxylic acid, 4-hydroxy-, methyl ester, SCHEMBL5930909, DTXSID10502565, LUBWUSMZFMBOIQ-UHFFFAOYSA-N, 7073AJ, MFCD22689519, ZINC39246747, AKOS025243495, FCH1778997, QC-4584, SB12636, TRA0003323, KS-000004P4, AS-53591, SY028308, CS-0030012, FT-0727791, MFCD22689519 (97%), 4-hydroxy-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester, C10H16O3,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.11g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.235g/mol
Monoisotopic Mass	184.11g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number