AG01A345

1095276-23-5 | 2,3-Dihydro-[1,4]Dioxino[2,3-B]Pyridine-6-Carboxylic Acid

AG01A345

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CAS Number	1095276-23-5
Catalog Number	AG01A345
Chemical Name	2,3-Dihydro-[1,4]Dioxino[2,3-B]Pyridine-6-Carboxylic Acid
IUPAC Name	2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid
InChI	InChI=1S/C8H7NO4/c10-8(11)5-1-2-6-7(9-5)13-4-3-12-6/h1-2H,3-4H2,(H,10,11)
InChI Key	SQYSSECTRFWJFS-UHFFFAOYSA-N
MDL Number	MFCD18260625
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
SMILES	O=C(C1=CC=C2C(OCCO2)=N1)O
Synonyms	1095276-23-5, 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid, 2H,3H-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid, SCHEMBL4757883, AKOS023779906, ZINC108293489, Z2492774525,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

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