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CAT: 0127-BUP10833-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10833-02Size:10 mg

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CAS Number

1099592-35-4

Synonyms

2-hydroxy-N'-[ (E) - (2-hydroxynaphthalen-1-yl) methylidene]benzohydrazide

Purity

=98%

Smiles

Oc1ccccc1C(=O)N\N=C\c1c(O)ccc2ccccc12

Chemical Information

2-Hydroxy-1-naphthalaldehyde salicyloylhydrazone

structure given in first source

CAS Number	1099592-35-4
PubChem CID	135458654
IUPAC Name	2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
Molecular Formula	C18H14N2O3
Molecular Weight	306.3
XLogP	3.9
Topological Polar Surface Area	81.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	440

SMILES

C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=CC=CC=C3O)O

InChI

InChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,21-22H,(H,20,23)/b19-11+

InChIKey

ZZSJOLDICPVVAV-YBFXNURJSA-N

Chemical Structure

2D Structure

CAS: 1099592-35-4

CID: 135458654

Formula: C18H14N2O3

MW: 306.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.3
XLogP3	3.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	306.10044231
Monoisotopic Mass	306.10044231
Topological Polar Surface Area	81.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	440
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