AG009AKT

122665-96-7 | 3-Fluorocyclobutanecarboxylic acid

AG009AKT

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CAS Number	122665-96-7
Catalog Number	AG009AKT(AGN-PC-01ZU4J)
Chemical Name	3-Fluorocyclobutanecarboxylic acid
IUPAC Name	3-fluorocyclobutane-1-carboxylic acid
InChI	InChI=1S/C5H7FO2/c6-4-1-3(2-4)5(7)8/h3-4H,1-2H2,(H,7,8)
InChI Key	LQXHCYIDZUPZNK-UHFFFAOYSA-N
MDL Number	MFCD09834117
Molecular Formula	C5H7FO2
Molecular Weight	118.1063
SMILES	O=C(C1CC(F)C1)O
Synonyms	3-Fluorocyclobutanecarboxylic acid, 122665-96-7, 3-fluorocyclobutane-1-carboxylic acid, trans-3-fluorocyclobutane-1-carboxylic acid, 123812-78-2, 123812-79-3, 3-Fluoro-cyclobutanecarboxylic acid, cis-3-fluorocyclobutane-1-carboxylic acid, cis-3-Fluorocyclobutanecarboxylic acid, trans-3-Fluorocyclobutanecarboxylic acid, CYCLOBUTANECARBOXYLIC ACID, 3-FLUORO-, SCHEMBL988736, SCHEMBL988762, SCHEMBL20495131, AMCB00040, CTK8G7038, DTXSID90595617, LQXHCYIDZUPZNK-UHFFFAOYSA-N, KS-000005MB, KS-000005MC, 2538AD, MFCD09834117, MFCD16661179, MFCD16661184, ZINC60122315, 3-fluoro-1-cyclobutanecarboxylic acid, AKOS006283194, AKOS030630906, AKOS030630939, ZINC114978059, ZINC307677434, ACN-048826, AM85510, PB20399, RP08484, KS-0000036C, 3-fluoranylcyclobutane-1-carboxylic acid, AN-32835, AS-33525, AS-53552, AS-53652, SC-26589, AB0094456, AJ-113866, DB-002995, ST1110776, CS-0036337, CS-0047785, CS-0049707, Cyclobutanecarboxylic acid, 3-fluoro-, cis-, FT-0684772, Cyclobutanecarboxylic acid, 3-fluoro-, trans-, C-8467, 665F967, A804942, M112009, M112010, M112011, J-512550, I14-10167, C5H7FO2, 3,4,5-trifluoro-2-methoxyaniline,

Complexity	107
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.043g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	118.107g/mol
Monoisotopic Mass	118.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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