OXFBD04

CAT: 0607-BA4751-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4751-50Size:50 mg

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

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CAS Number

2231747-03-6

Form

A solid

Molecular Formula

C17H16N2O3

Molecular Weight

296.32

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Oxfbd04

CAS Number	2231747-03-6
PubChem CID	145925690
IUPAC Name	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy(pyridin-3-yl)methyl]phenol
Molecular Formula	C17H16N2O3
Molecular Weight	296.32
XLogP	2.2
Topological Polar Surface Area	79.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	368

SMILES

CC1=C(C(=NO1)C)C2=CC(=CC(=C2)O)C(C3=CN=CC=C3)O

InChI

InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3

InChIKey

RFDVEAHRRMEOHK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2231747-03-6

CID: 145925690

Formula: C17H16N2O3

MW: 296.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.32
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	296.11609238
Monoisotopic Mass	296.11609238
Topological Polar Surface Area	79.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	368
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T12338-01	OXFBD04