AG000PUS

1199-60-6 | 5-Methoxy-4-oxo-4H-pyran-2-carboxylic acid

AG000PUS

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CAS Number	1199-60-6
Catalog Number	AG000PUS(AGN-PC-00JEML)
Chemical Name	5-Methoxy-4-oxo-4H-pyran-2-carboxylic acid
IUPAC Name	5-methoxy-4-oxopyran-2-carboxylic acid
InChI	InChI=1S/C7H6O5/c1-11-6-3-12-5(7(9)10)2-4(6)8/h2-3H,1H3,(H,9,10)
InChI Key	JQYYVBCIIMRLDL-UHFFFAOYSA-N
MDL Number	MFCD11007758
Molecular Formula	C7H6O5
Molecular Weight	170.1195
SMILES	O=C(C1=CC(C(OC)=CO1)=O)O
Synonyms	5-Methoxy-4-oxo-4H-pyran-2-carboxylic acid, 1199-60-6, 4H-Pyran-2-carboxylic acid, 5-methoxy-4-oxo-, SCHEMBL3217997, CTK0F9333, DTXSID20475397, JQYYVBCIIMRLDL-UHFFFAOYSA-N, ALBB-028631, BBL035026, MFCD11007758, STL426063, ZINC16974888, AKOS005208087, MCULE-4827539310, 5-methoxy-4-oxopyran-2-carboxylic acid, 4-Oxo-5-methoxy-4H-pyran-2-carboxylic acid, Y-6444, F2158-0171, Z1981870434, CID11992679, 5-methoxy-4-oxo-pyran-2-carboxylic Acid, 2-[(2-Fluorobenzyl)amino]ethanol hydrochloride,

Complexity	286
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.022g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.12g/mol
Monoisotopic Mass	170.022g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number