6-Ethoxynicotinic acid

CAT: 0127-OR315092-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR315092-01Size:250 mg

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CAS Number

97455-65-7

MDL Number

MFCD07403514

Purity

98%

Smiles

CCOc1ccc(cn1)C(=O)O

Chemical Information

6-Ethoxypyridine-3-carboxylic acid

CAS Number	97455-65-7
PubChem CID	6485817
IUPAC Name	6-ethoxypyridine-3-carboxylic acid
Molecular Formula	C8H9NO3
Molecular Weight	167.16
XLogP	1
Topological Polar Surface Area	59.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	160

SMILES

CCOC1=NC=C(C=C1)C(=O)O

InChI

InChI=1S/C8H9NO3/c1-2-12-7-4-3-6(5-9-7)8(10)11/h3-5H,2H2,1H3,(H,10,11)

InChIKey

RAMUDXNFZBUNHO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 97455-65-7

CID: 6485817

Formula: C8H9NO3

MW: 167.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.16
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	167.058243149
Monoisotopic Mass	167.058243149
Topological Polar Surface Area	59.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160
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
OR1082587	6-chloro-2-ethoxynicotinic acid
OR1004738-01	6-Chloro-4-ethoxynicotinic acid
OR5067-01	2-Ethoxynicotinic acid
OR2747-01	5-Bromo-2-ethoxynicotinic acid
OR18046-01	5-Chloro-2-ethoxynicotinic acid
OR1044758-01	4-Amino-5-bromo-6-ethoxypicolinic acid
OR960468-01	5-Ethoxypicolinic acid
OR78886-01	4-Ethoxypicolinic acid
OR81891-01	3-Ethoxypicolinic acid
PC1002678-01	6,6,6-Trifluorohexanoic acid

Catalog	Name
sc-291321	6-ethoxynicotinic acid
sc-259803	2-Ethoxynicotinic acid
sc-318326	5-Bromo-2-ethoxynicotinic acid
15845021-100g	6-Aminohexanoic acid (6-Aminocaproic acid)
JH339811	6,6,6-trideuteriohexanoic acid
AAA76464-01	6,6,6-Trifluorohexanoic acid
TRC-B387150-100MG	6,6'-Binicotinic Acid
M28914-01	6,6'-Dithiodinicotinic Acid
HY-W273281-01	6,6′-Dithiodinicotinic acid
QAA89892-01	6,6-Dimethylheptanoic acid