AG0032L7

542-05-2 | Acetone-1,3-dicarboxylic acid

AG0032L7

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CAS Number	542-05-2
Catalog Number	AG0032L7(AGN-PC-0JL8EF)
Chemical Name	Acetone-1,3-dicarboxylic acid
EC Number	208-797-9
IUPAC Name	3-oxopentanedioic acid
InChI	InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)
InChI Key	OXTNCQMOKLOUAM-UHFFFAOYSA-N
MDL Number	MFCD00002711
Molecular Formula	C5H6O5
Molecular Weight	146.0981
SMILES	O=C(CC(O)=O)CC(O)=O
UNII	IH7P7WO21P
Synonyms	3-oxopentanedioic acid, 1,3-Acetonedicarboxylic acid, 542-05-2, 3-Oxoglutaric acid, Pentanedioic acid, 3-oxo-, Acetonedicarboxylic acid, acetone-1,3-dicarboxylic acid, 3-Ketoglutaric Acid, UNII-IH7P7WO21P, MFCD00002711, 1,3-Acetonedicarboxylic acid; 3-Ketoglutaric acid, IH7P7WO21P, 1,3-Acetonedicarboxylic acid, 96%, acetondicarbonsaure, b-ketoglutaric acid, EINECS 208-797-9, PubChem15703, 3-oxo-pentanedioic acid, Glutaric acid, 3-oxo-, beta-KETOGLUTARIC ACID, EC 208-797-9, AC1L29IV, AC1Q5V7F, AC1Q74RP, AC1Q74RQ, SCHEMBL28522, 1.3-acetonedicarboxylic acid, 1,3-acetone dicarboxylic acid, acetone 1,3-dicarboxylic acid, 1,3-diacetonedicarboxylic acid, 3-Oxopentane-1,5-dioic acid, 1,3-diacetonedicarboxylic acid;, DTXSID2060252, CHEBI:88950, OXTNCQMOKLOUAM-UHFFFAOYSA-N, ZINC388410, EBD17943, KS-000001AC, BBL027398, SBB065807, STL382157, AKOS005146511, AC-3531, CS-W007752, FS-4496, HY-W007752, MCULE-7760127170, RP21032, 3-Oxoglutaric acid; 3-Ketoglutaric acid, AJ-20604, AK-48328, AN-12869, BC213438, BR-48328, SC-16413, AB0006773, AB1003290, FT-0621806, K0006, ST24022975, ST50823999, 1,3-Acetonedicarboxylic acid, technical grade, EN300-20020, I04-0425, F2191-0194, 72B67DDF-F659-43AA-9A12-E57411FDE057, 6JN, |A-ketoglutaric acid, 1,3-Acetonedicarboxylicacid, C5H6O5, C5-H6-O5, CID68328, K-2480,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.022g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	146.098g/mol
Monoisotopic Mass	146.022g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	91.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number