AG000OFD

1256818-31-1 | 1,4-Dioxino[2,3-b]pyridine-7-carboxylic acid, 2,3-dihydro-

AG000OFD

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CAS Number	1256818-31-1
Catalog Number	AG000OFD(AGN-PC-03H0KD)
Chemical Name	1,4-Dioxino[2,3-b]pyridine-7-carboxylic acid, 2,3-dihydro-
IUPAC Name	2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxylic acid
InChI	InChI=1S/C8H7NO4/c10-8(11)5-3-6-7(9-4-5)13-2-1-12-6/h3-4H,1-2H2,(H,10,11)
InChI Key	GJMRZEFOMRCYBI-UHFFFAOYSA-N
MDL Number	MFCD18250788
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
SMILES	O=C(C1=CN=C(OCCO2)C2=C1)O
Synonyms	2,3-Dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxylic acid, 1256818-31-1, AC1Q73ZO, SCHEMBL16044509, CTK4B4729, DTXSID10619208, MFCD18250788, ZINC66054340, AKOS015855939, AB73659, DA-18734, TR-035496, CS-0091183, FT-0682888, Z8969, A-6307, I02-5069, 2H,3H-[1,4]dioxino[2,3-b]pyridine-7-carboxylic acid, 2,3-Dihydro[1,4]dioxino[2,3-b]pyridine-7-carboxylic acid, 1,4-Dioxino[2,3-b]pyridine-7-carboxylic acid, 2,3-dihydro-, 2,3-Dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxylic acid, AldrichCPR, C8H7NO4, GJMRZEFOMRCYBI-UHFFFAOYSA-N,

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	0.4

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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