AG003MY2

57822-06-7 | 5-Oxoazelaic Acid

AG003MY2

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CAS Number	57822-06-7
Catalog Number	AG003MY2(AGN-PC-0JO23V)
Chemical Name	5-Oxoazelaic Acid
IUPAC Name	5-oxononanedioic acid
InChI	InChI=1S/C9H14O5/c10-7(3-1-5-8(11)12)4-2-6-9(13)14/h1-6H2,(H,11,12)(H,13,14)
InChI Key	GTCHZEFRDKAINX-UHFFFAOYSA-N
MDL Number	MFCD00075542
Molecular Formula	C9H14O5
Molecular Weight	202.2045
NSC Number	111667
SMILES	O=C(O)CCCC(CCCC(O)=O)=O
Synonyms	5-Oxoazelaic acid, 5-Oxononanedioic acid, 57822-06-7, NSC111667, 5-Ketoazelaic Acid, NSC 111667, 5-Oxo-nonanedioic acid, ACMC-1AWGS, AC1L6NJR, AC1Q5VYH, Nonanedioic acid,5-oxo-, 5-Oxoazelaic acid, 97%, SCHEMBL503328, CTK5A7501, DTXSID00206540, ZINC1703342, ANW-32805, MFCD00075542, AKOS015894365, NSC-111667, DA-16978, TC-121550, FT-0620740, O0258, O67004, I04-9697, 5-OXOAZELAICACID, AR-1G9346, CID269945, NSC134496, 58316-88-4,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.084g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	202.206g/mol
Monoisotopic Mass	202.084g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	91.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number