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80648-84-6 molecular structure
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3-hydroxy-N'-[(2-hydroxyphenyl)methylidene]naphthalene-2-carbohydrazide

ChemBase ID: 157157
Molecular Formular: C18H14N2O3
Molecular Mass: 306.31536
Monoisotopic Mass: 306.10044232
SMILES and InChIs

SMILES:
c1ccc2cc(c(cc2c1)C(=O)N/N=C/c1ccccc1O)O
Canonical SMILES:
O=C(c1cc2ccccc2cc1O)N/N=C/c1ccccc1O
InChI:
InChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)11-19-20-18(23)15-9-12-5-1-2-6-13(12)10-17(15)22/h1-11,21-22H,(H,20,23)
InChIKey:
XTQAGBABCDSRSN-UHFFFAOYSA-N

Cite this record

CBID:157157 http://www.chembase.cn/molecule-157157.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-hydroxy-N'-[(2-hydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
IUPAC Traditional name
3-hydroxy-N'-[(2-hydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
Synonyms
3-Hydroxy-2-naphthoic(2-hydroxybenzylidene)hydrazide
3-Hydroxy-N′-[(2-hydroxyphenyl)methylene]-2-naphthydrazide
Ytterbium(III) Ionophore II
3-羟基-(2-羟基亚苄基)萘甲酰肼
3-羟基-N′-[(2-羟基苯基)亚甲基]-2-萘甲酰肼
镱(III) 离子载体 II
CAS Number
80648-84-6
MDL Number
MFCD00744944
PubChem SID
162251294
PubChem CID
6510755

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
08776 external link Add to cart Please log in.
Data Source Data ID
PubChem 6510755 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.7574434  H Acceptors
H Donor LogD (pH = 5.5) 3.9930832 
LogD (pH = 7.4) 3.8337386  Log P 3.9954808 
Molar Refractivity 88.6475 cm3 Polarizability 34.027645 Å3
Polar Surface Area 81.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Grade
Selectophore™ expand Show data source
Quality
function tested expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 08776 external link
Application
Nano-level monitoring of ytterbium(III)1
General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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