Ethyl 5-phenylpicolinate

CAT: 0127-OR1093302-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1093302-01Size:250 mg

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CAS Number

65117-74-0

MDL Number

MFCD18416762

Purity

97%

Smiles

C1 (cnc (cc1) C (=O) OCC) c1ccccc1

Chemical Information

Ethyl 5-phenylpicolinate

CAS Number	65117-74-0
PubChem CID	14540002
IUPAC Name	ethyl 5-phenylpyridine-2-carboxylate
Molecular Formula	C14H13NO2
Molecular Weight	227.26
XLogP	3
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	249

SMILES

CCOC(=O)C1=NC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C14H13NO2/c1-2-17-14(16)13-9-8-12(10-15-13)11-6-4-3-5-7-11/h3-10H,2H2,1H3

InChIKey

YLTRNHCOZCQBTP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 65117-74-0

CID: 14540002

Formula: C14H13NO2

MW: 227.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.26
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	227.094628657
Monoisotopic Mass	227.094628657
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	249
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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