Haspin-IN-3

CAT: 0607-BA4114-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4114-5Size:5 mg

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

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CAS Number

2416569-95-2

Form

A solid

Molecular Formula

C16H10N2O3

Molecular Weight

278.26

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Haspin-IN-3

CAS Number	2416569-95-2
PubChem CID	156016477
IUPAC Name	(2Z)-6-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one
Molecular Formula	C16H10N2O3
Molecular Weight	278.26
XLogP	2.6
Topological Polar Surface Area	75.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	464

SMILES

C1=CC2=C(NC=C2/C=C\3/C(=O)C4=C(O3)C=C(C=C4)O)N=C1

InChI

InChI=1S/C16H10N2O3/c19-10-3-4-12-13(7-10)21-14(15(12)20)6-9-8-18-16-11(9)2-1-5-17-16/h1-8,19H,(H,17,18)/b14-6-

InChIKey

VHCZWXXMSGKCKC-NSIKDUERSA-N

Chemical Structure

2D Structure

CAS: 2416569-95-2

CID: 156016477

Formula: C16H10N2O3

MW: 278.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.26
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	278.06914219
Monoisotopic Mass	278.06914219
Topological Polar Surface Area	75.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	464
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