AG003P1I

499-05-8 | 4-Oxo-4H-Pyran-2-Carboxylic Acid

AG003P1I

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CAS Number	499-05-8
Catalog Number	AG003P1I(AGN-PC-0NIH7P)
Chemical Name	4-Oxo-4H-Pyran-2-Carboxylic Acid
IUPAC Name	4-oxopyran-2-carboxylic acid
InChI	InChI=1S/C6H4O4/c7-4-1-2-10-5(3-4)6(8)9/h1-3H,(H,8,9)
InChI Key	UFMDRPPBUAPWBK-UHFFFAOYSA-N
MDL Number	MFCD00059958
Molecular Formula	C6H4O4
Molecular Weight	140.0936
SMILES	O=C(C1=CC(C=CO1)=O)O
Synonyms	Comanic Acid, 4-Oxo-4H-pyran-2-carboxylic Acid, 499-05-8, 4H-Pyran-2-carboxylic acid, 4-oxo-, J-650350, COMANICACID, SCHEMBL546936, gamma-Pyrone-2-carboxylic Acid, DTXSID00486729, UFMDRPPBUAPWBK-UHFFFAOYSA-N, ZINC2527986, 4H-Pyran-2-carboxylic acid,4-oxo-, ACM499058, FCH918127, MFCD00059958, AKOS006227995, AK173994, AS-40793, BP-10232, OR322025, SC-66741, FT-0703985, KS-00001793, 4-Oxo-4H-pyran-2-carboxylic acid, AldrichCPR, C-44654, I14-60564, c1104,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.011g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.094g/mol
Monoisotopic Mass	140.011g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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

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