AG0006YY

10222-61-4 | 4-Quinolinecarboxylic acid, 2-butoxy-

AG0006YY

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CAS Number	10222-61-4
Catalog Number	AG0006YY(AGN-PC-0MXAMU)
Chemical Name	4-Quinolinecarboxylic acid, 2-butoxy-
IUPAC Name	2-butoxyquinoline-4-carboxylic acid
InChI	InChI=1S/C14H15NO3/c1-2-3-8-18-13-9-11(14(16)17)10-6-4-5-7-12(10)15-13/h4-7,9H,2-3,8H2,1H3,(H,16,17)
InChI Key	ZISCTCXYESUBGA-UHFFFAOYSA-N
MDL Number	MFCD11527607
Molecular Formula	C14H15NO3
Molecular Weight	245.2738
SMILES	O=C(C1=CC(OCCCC)=NC2=CC=CC=C12)O
Synonyms	2-butoxyquinoline-4-carboxylic Acid, 10222-61-4, 4-Quinolinecarboxylic acid, 2-butoxy-, AK159821, 2-(n-butyloxy)-4-quinolinecarboxylic acid, butyloxycinchoninic acid, SCHEMBL6250517, KS-00000SIU, ZISCTCXYESUBGA-UHFFFAOYSA-N, 2-Butoxyquinoline-4-carboxylicAcid, MFCD11527607, ZINC34083382, 2-n-Butoxy-4-quinolinecarboxylic acid, AKOS009411458, IMED409272673, ACN-052840, DS-9690, AJ-86853, AX8293080, ST24040225, W-3776, CID10014750,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.105g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.278g/mol
Monoisotopic Mass	245.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number