DMU2139

CAT: 0607-BA7272-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7272-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1821143-80-9

Form

A solid

Molecular Formula

C19H15NO2

Molecular Weight

289.33

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

(E)-1-(6-Methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one

CAS Number	1821143-80-9
PubChem CID	13615899
IUPAC Name	(E)-1-(6-methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
Molecular Formula	C19H15NO2
Molecular Weight	289.3
XLogP	3.8
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	406

SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=CN=CC=C3

InChI

InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+

InChIKey

MPDPEUALCUWORP-RUDMXATFSA-N

Chemical Structure

2D Structure

CAS: 1821143-80-9

CID: 13615899

Formula: C19H15NO2

MW: 289.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	289.3
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	289.110278721
Monoisotopic Mass	289.110278721
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	406
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes