Vanillin azine

CAT: 0926-FV70644-02Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FV70644-02Size:50 g

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CAS Number

1696-60-2

Synonyms

4-Hydroxy-3-methoxybenzalazine

MDL Number

MFCD00008364

Smiles

COC1=C (C=CC (=C1) /C=N/N=C/C2=CC (=C (C=C2) O) OC) O

Molecular Formula

C16H16N2O4

Molecular Weight

300.31 g/mol

Controlled

Chemical Information

4-Hydroxy-3-methoxybenzaldehyde 2-((4-hydroxy-3-methoxyphenyl)methylene)hydrazone

CAS Number	1696-60-2
PubChem CID	74331
IUPAC Name	4-[[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol
Molecular Formula	C16H16N2O4
Molecular Weight	300.31
XLogP	2.5
Topological Polar Surface Area	83.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	352

SMILES

COC1=C(C=CC(=C1)C=NN=CC2=CC(=C(C=C2)O)OC)O

InChI

InChI=1S/C16H16N2O4/c1-21-15-7-11(3-5-13(15)19)9-17-18-10-12-4-6-14(20)16(8-12)22-2/h3-10,19-20H,1-2H3

InChIKey

GGQDJSIYHIRXDW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1696-60-2

CID: 74331

Formula: C16H16N2O4

MW: 300.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.31
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	300.11100700
Monoisotopic Mass	300.11100700
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	352
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	2
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes