AG001ANK

1392803-31-4 | Cyclobutanecarboxylic acid, 3-hydroxy-3-(trifluoromethyl)-, methyl ester

AG001ANK

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CAS Number	1392803-31-4
Catalog Number	AG001ANK(AGN-PC-0WCL02)
Chemical Name	Cyclobutanecarboxylic acid, 3-hydroxy-3-(trifluoromethyl)-, methyl ester
IUPAC Name	methyl 3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylate
InChI	InChI=1S/C7H9F3O3/c1-13-5(11)4-2-6(12,3-4)7(8,9)10/h4,12H,2-3H2,1H3
InChI Key	MHVAMXOAFNRYMI-UHFFFAOYSA-N
MDL Number	MFCD23106188
Molecular Formula	C7H9F3O3
Molecular Weight	198.1398
SMILES	O=C(C1CC(C(F)(F)F)(O)C1)OC
Synonyms	1392803-31-4, Methyl 3-hydroxy-3-(trifluoromethyl)-cyclobutanecarboxylate, methyl 3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylate, Methyl 3-hydroxy-3-(trifluoromethyl)cyclobutanecarboxylate, KS-000007PE, MFCD23106188, ZINC95743024, FCH2311269, PB35978, SB20984, AK171607, AS-51846, CS-0049089, Q-1743, methyl 3-hydroxy-3-(trifluoromethyl)cyclobutane-1-, Cyclobutanecarboxylic acid, 3-hydroxy-3-(trifluoromethyl)-, methyl ester, Carboxylate,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.05g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.141g/mol
Monoisotopic Mass	198.05g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^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	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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