Quinolin-8-yl acetate

CAT: 0127-OR1056498Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1056498Size:250 mg

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CAS Number

2598-29-0

MDL Number

MFCD00014665

Purity

97%

Smiles

CC(OC1=C2N=CC=CC2=CC=C1)=O

Chemical Information

8-Acetoxyquinoline

CAS Number	2598-29-0
PubChem CID	75777
IUPAC Name	quinolin-8-yl acetate
Molecular Formula	C11H9NO2
Molecular Weight	187.19
XLogP	2
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	217

SMILES

CC(=O)OC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C11H9NO2/c1-8(13)14-10-6-2-4-9-5-3-7-12-11(9)10/h2-7H,1H3

InChIKey

MZPCTRNDYNHZQE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2598-29-0

CID: 75777

Formula: C11H9NO2

MW: 187.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.19
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	187.063328530
Monoisotopic Mass	187.063328530
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	217
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1066587-01	Quinolin-8-yl acrylate
OR15296	(Quinolin-8-yl) thiourea
PC1001301-01	Quinolin-8-yl trifluoromethanesulfonate
OR346387	(Quinolin-8-yl) methylamine
OR1044783-01	Potassium 2- (quinolin-2-yl) acetate
OR1025361-01	Ethyl 2- (Quinolin-2-Yl) Acetate
OR1036981	Methyl 2- (quinolin-3-yl) acetate
OR1045885-01	Methyl 2- (quinolin-2-yl) acetate
OR73858	Methyl 2- (quinolin-6-yl) acetate
PC01664	Ethyl difluoro (quinolin-6-yl) acetate

Catalog	Name
LAC46065-01	Ethyl 2- (quinolin-5-yl) acetate
XIB45893-01	Methyl 2- (quinolin-3-yl) acetate
448788-01	Ethyl 2- (quinolin-2-yl) acetate
AR-M05339-01	Ethyl 2- (quinolin-4-yl) acetate
CCA24948-01	Methyl 2- (quinolin-2-yl) acetate
sc-257714	Methyl {[2- (trifluoromethyl) quinolin-4-yl]thio}acetate
sc-280053	Quinolin-2-ylmethyl acetate
BW GA 0377-01	(5,8-dioxonaphthalen-1-yl) acetate
BPC08436-01	Ethyl 2- (9H-purin-8-yl) acetate
AQ BD AN15-01	(4,5,8-triacetyloxyanthracen-1-yl) acetate