AS8351

CAT: 0127-BUP15416-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15416-01Size:5 mg

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

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CAS Number

796-42-9

Synonyms

NSC51355, AS-8351, AS 8351

Purity

=98%

Smiles

NN(\C=C1/C(=O)C=Cc2ccccc12)C(=O)c1ccncc1

Chemical Information

(e)-n'-((2-Hydroxynaphthalen-1-yl)methylene)isonicotinohydrazide

CAS Number	796-42-9
PubChem CID	135400486
IUPAC Name	N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
Molecular Formula	C17H13N3O2
Molecular Weight	291.30
XLogP	2.7
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	407

SMILES

C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=CC=NC=C3)O

InChI

InChI=1S/C17H13N3O2/c21-16-6-5-12-3-1-2-4-14(12)15(16)11-19-20-17(22)13-7-9-18-10-8-13/h1-11,21H,(H,20,22)/b19-11+

InChIKey

WQSHHAVECQJKLX-YBFXNURJSA-N

Chemical Structure

2D Structure

CAS: 796-42-9

CID: 135400486

Formula: C17H13N3O2

MW: 291.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	291.30
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	291.100776666
Monoisotopic Mass	291.100776666
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	407
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