AG0033RY

98-78-2 | 3-Oxocyclopentanecarboxylic Acid

AG0033RY

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CAS Number	98-78-2
Catalog Number	AG0033RY(AGN-PC-0JO70Q)
Chemical Name	3-Oxocyclopentanecarboxylic Acid
IUPAC Name	3-oxocyclopentane-1-carboxylic acid
InChI	InChI=1S/C6H8O3/c7-5-2-1-4(3-5)6(8)9/h4H,1-3H2,(H,8,9)
InChI Key	RDSNBKRWKBMPOP-UHFFFAOYSA-N
MDL Number	MFCD01320173
Molecular Formula	C6H8O3
Molecular Weight	128.1259
NSC Number	19869
SMILES	O=C(O)C1CC(=O)CC1
Synonyms	98-78-2, 3-Oxocyclopentanecarboxylic acid, 3-oxo-cyclopentane-carboxylic acid, 3-oxocyclopentane-1-carboxylic acid, 3-Oxo-1-cyclopentanecarboxylic acid, 3-Oxo cyclopentane 1-carboxylic acid, Cyclopentanecarboxylic acid, 3-oxo-, cyclopentanone-3-carboxylic acid, 3-oxo-cyclopentanecarboxylic acid, 3-CARBOXYCYCLOPENTANONE, 3-ketocyclopentanecarboxylic acid, MFCD01320173, 3-cyclopentanone-1(R)-carboxylic acid, 3-Oxo-1-cyclopentanecarboxylic acid, 97%, AK-99964, AK100868, PubChem11090, 3-OXO-1-CYCLO PENTANECARBOXYLIC ACID, ACMC-209z0e, AC1L5FR5, SCHEMBL51838, AMOT0105, 3-oxocyclopentane carboxylic acid, CHEBI:71213, CTK3I6718, DTXSID90281043, RDSNBKRWKBMPOP-UHFFFAOYSA-N, 3-oxo-cyclopentane carboxylic acid, Cyclopentanecarboxylicacid, 3-oxo-, BCP27585, NSC19869, ANW-49644, CO-058, NSC-19869, 3-oxo-1-cyclopentane carboxylic acid, (1R)-3-Oxocyclopentanecarboxylic acid, AKOS006222339, AC-1465, CS-W001693, GS-4087, PB17215, RP19781, RTR-032640, TRA0077087, KS-000006L0, AK-31826, AN-14894, BC223612, BR-31826, SC-28724, SY007001, AB0030957, DB-002960, ST2410832, TR-032640, 4CH-013708, AM20120395, FT-0649624, O0416, X3245, MFCD01320173 (97%), O30200, S-3994, 320O173, AJ-190/25036001, J-513015, S04-0113, Z2418194192, 3-Oxocyclopentanecarboxylicacid, (R)-3-Oxocyclopentanecarboxylic acid, (S)-3-Oxocyclopentanecarboxylic acid, C6H8O3, CID227798, ACN-048366, C2029, 3-Oxo-1-cyclopentanecarboxylic acid, 95% - 1G 1g, (S)-3-(4-N-Methyl-piperazin-1-yl)pyrrolidine-3HCl, 13012-38-9, 71830-06-3,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.047g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	128.127g/mol
Monoisotopic Mass	128.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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