AG005TL5

94994-15-7 | Methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate

AG005TL5

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CAS Number	94994-15-7
Catalog Number	AG005TL5(AGN-PC-07ZXEB)
Chemical Name	Methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate
IUPAC Name	methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate
InChI	InChI=1S/C11H18O3/c1-14-9(13)11-5-2-10(8-12,3-6-11)4-7-11/h12H,2-8H2,1H3
InChI Key	CNDFZCWNUACFHZ-UHFFFAOYSA-N
MDL Number	MFCD20275559
Molecular Formula	C11H18O3
Molecular Weight	198.2588
SMILES	COC(=O)C12CCC(CO)(CC1)CC2
Synonyms	methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate, 94994-15-7, AK101586, A1-01467, 4-Hydroxymethyl-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester, Bicyclo[2.2.2]octane-1-carboxylic acid, 4-(hydroxymethyl)-, methyl ester, SCHEMBL10164849, CTK8B9666, DTXSID70676958, CNDFZCWNUACFHZ-UHFFFAOYSA-N, KS-00000Q6H, ANW-62862, MFCD20275559, ZINC66354245, AKOS015851378, DS-2439, FCH1785571, MP-1806, CJ-21330, OR350282, AJ-116703, AX8233125, DB-080160, TC-071636, 4CH-011893, FT-0693553, ST24025334, Z5393, A25965, F10037, S14-1852, C11H18O3, Methyl4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.126g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.262g/mol
Monoisotopic Mass	198.126g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

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