2-Methyl-6-ethoxyquinoline

CAT: 0024-sc-486813Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-486813Size:5 g

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CAS Number

6628-28-0

Chemical Information

6-Ethoxy-2-methylquinoline

CAS Number	6628-28-0
PubChem CID	81118
IUPAC Name	6-ethoxy-2-methylquinoline
Molecular Formula	C12H13NO
Molecular Weight	187.24
XLogP	2.9
Topological Polar Surface Area	22.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	183

SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2)C

InChI

InChI=1S/C12H13NO/c1-3-14-11-6-7-12-10(8-11)5-4-9(2)13-12/h4-8H,3H2,1-2H3

InChIKey

VTGXHCUQALWXCR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6628-28-0

CID: 81118

Formula: C12H13NO

MW: 187.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.24
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	187.099714038
Monoisotopic Mass	187.099714038
Topological Polar Surface Area	22.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	183
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
sc-506503	6-Bromo-2-ethoxyquinoline
sc-287991A	2-Chloro-6-ethoxyquinoline-3-carbonitrile
sc-287921A	2-Chloro-3-chloromethyl-6-ethoxyquinoline
sc-291322A	6-Ethoxyquinoline-2,3-dicarboxylic acid
sc-287921	2-Chloro-3-chloromethyl-6-ethoxyquinoline
sc-287991	2-Chloro-6-ethoxyquinoline-3-carbonitrile
sc-287992A	2-Chloro-6-ethoxyquinoline-3-carboxaldehyde
sc-287992	2-Chloro-6-ethoxyquinoline-3-carboxaldehyde
sc-291322	6-Ethoxyquinoline-2,3-dicarboxylic acid
sc-287993A	2-Chloro-6-ethoxyquinoline-3-methanol

Catalog	Name
OR937252-01	2-Methyl-6-ethoxyquinoline
OR300254	6-Bromo-2-ethoxyquinoline
PDC90931-01	2-Chloro-6-ethoxyquinoline
OR1063419-01	2-Ethoxyquinoline-6-carboxylic acid
OR901677-01	2-Ethoxyquinoline
OR309260-01	2-Chloro-6-ethoxyquinoline-3-methanol
OR307907	2-Chloro-3-chloromethyl-6-ethoxyquinoline
OR307919-01	2-Chloro-6-ethoxyquinoline-3-carbonitrile
OR307920-01	2-Chloro-6-ethoxyquinoline-3-carboxaldehyde
OR1058352-01	4-Bromo-6-ethoxyquinoline