AG000RKG

1260897-05-9 | Cyclopentanecarboxylic acid, 3,3-difluoro-

AG000RKG

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CAS Number	1260897-05-9
Catalog Number	AG000RKG(AGN-PC-09ROML)
Chemical Name	Cyclopentanecarboxylic acid, 3,3-difluoro-
IUPAC Name	3,3-difluorocyclopentane-1-carboxylic acid
InChI	InChI=1S/C6H8F2O2/c7-6(8)2-1-4(3-6)5(9)10/h4H,1-3H2,(H,9,10)
InChI Key	DXLZFZGHXIZHFB-UHFFFAOYSA-N
MDL Number	MFCD15526661
Molecular Formula	C6H8F2O2
Molecular Weight	150.1233
SMILES	O=C(C1CC(F)(F)CC1)O
Synonyms	1260897-05-9, 3,3-DIFLUOROCYCLOPENTANECARBOXYLIC ACID, 3,3-DIFLUOROCYCLOPENTANE-1-CARBOXYLIC ACID, 3,3-Difluorocyclopentaecarboxylic acid, Cyclopentanecarboxylic acid, 3,3-difluoro-, SCHEMBL9893343, DTXSID80695256, DXLZFZGHXIZHFB-UHFFFAOYSA-N, MFCD15526661, AKOS023201381, CS-W001377, PB33240, KS-0000078N, AS-41262, SC-25380, AB0047467, Q-2653, F8888-6986, Z1956828598, 3,3-difluorocyclopentanecarboxylic acid(75% solution in EtOAc and CH2Cl2), (R)-3,3-difluorocyclopentanecarboxylic acid, (S)-3,3-Difluorocyclopentanecarboxylic acid, 1352621-96-5, 1408057-45-3,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.049g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	150.125g/mol
Monoisotopic Mass	150.049g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number