NSC49652

CAT: 0127-BUP07365-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07365-01Size:5 mg

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

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CAS Number

908563-68-8

Synonyms

NSC 49652, NSC-49652

Purity

=98%

Smiles

Oc1ccccc1C(=O)\C=C\c1cccnc1

Chemical Information

(E)-1-(2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one

CAS Number	908563-68-8
PubChem CID	5356048
IUPAC Name	(E)-1-(2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
Molecular Formula	C14H11NO2
Molecular Weight	225.24
XLogP	2.8
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	288

SMILES

C1=CC=C(C(=C1)C(=O)/C=C/C2=CN=CC=C2)O

InChI

InChI=1S/C14H11NO2/c16-13-6-2-1-5-12(13)14(17)8-7-11-4-3-9-15-10-11/h1-10,16H/b8-7+

InChIKey

CRWNZUBUBIULHB-BQYQJAHWSA-N

Chemical Structure

2D Structure

CAS: 908563-68-8

CID: 5356048

Formula: C14H11NO2

MW: 225.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.24
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	225.078978594
Monoisotopic Mass	225.078978594
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	288
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

Catalog	Name
BA2909-5.1	NSC49652