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34547-26-7 molecular structure
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2-(2-methoxyphenyl)acetohydrazide

ChemBase ID: 53443
Molecular Formular: C9H12N2O2
Molecular Mass: 180.20378
Monoisotopic Mass: 180.08987763
SMILES and InChIs

SMILES:
C(=O)(Cc1c(OC)cccc1)NN
Canonical SMILES:
NNC(=O)Cc1ccccc1OC
InChI:
InChI=1S/C9H12N2O2/c1-13-8-5-3-2-4-7(8)6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
InChIKey:
XOJKKBKZYLQRMC-UHFFFAOYSA-N

Cite this record

CBID:53443 http://www.chembase.cn/molecule-53443.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-methoxyphenyl)acetohydrazide
IUPAC Traditional name
2-(2-methoxyphenyl)acetohydrazide
Synonyms
2-(2-Methoxyphenyl)acetohydrazide
CAS Number
34547-26-7
MDL Number
MFCD01610169
PubChem SID
162058206
PubChem CID
17609289

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17609289 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.594239  H Acceptors
H Donor LogD (pH = 5.5) 0.34813198 
LogD (pH = 7.4) 0.34987962  Log P 0.34990454 
Molar Refractivity 50.1351 cm3 Polarizability 19.164722 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
112 - 114°C expand Show data source
115 - 116 °C expand Show data source
Hydrophobicity(logP)
0.063 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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