2-ethoxy-6-methylnicotinic acid

CAT: 0127-OR1098788-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1098788-01Size:250 mg

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CAS Number

933696-84-5

MDL Number

MFCD16852852

Purity

95%

Smiles

C1c (nc (c (c1) C (=O) O) OCC) C

Chemical Information

2-Ethoxy-6-methylpyridine-3-carboxylic acid

CAS Number	933696-84-5
PubChem CID	62701541
IUPAC Name	2-ethoxy-6-methylpyridine-3-carboxylic acid
Molecular Formula	C9H11NO3
Molecular Weight	181.19
XLogP	1.4
Topological Polar Surface Area	59.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	184

SMILES

CCOC1=C(C=CC(=N1)C)C(=O)O

InChI

InChI=1S/C9H11NO3/c1-3-13-8-7(9(11)12)5-4-6(2)10-8/h4-5H,3H2,1-2H3,(H,11,12)

InChIKey

LRADPBWSEZBEGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 933696-84-5

CID: 62701541

Formula: C9H11NO3

MW: 181.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.19
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	181.07389321
Monoisotopic Mass	181.07389321
Topological Polar Surface Area	59.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184
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
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