Home > Compound List > Compound details
30991-42-5 molecular structure
click picture or here to close

2-hydroxy-3-methylbenzohydrazide

ChemBase ID: 52455
Molecular Formular: C8H10N2O2
Molecular Mass: 166.1772
Monoisotopic Mass: 166.07422757
SMILES and InChIs

SMILES:
C(=O)(c1c(c(ccc1)C)O)NN
Canonical SMILES:
Cc1cccc(c1O)C(=O)NN
InChI:
InChI=1S/C8H10N2O2/c1-5-3-2-4-6(7(5)11)8(12)10-9/h2-4,11H,9H2,1H3,(H,10,12)
InChIKey:
UWNTVIWGDXKENJ-UHFFFAOYSA-N

Cite this record

CBID:52455 http://www.chembase.cn/molecule-52455.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxy-3-methylbenzohydrazide
IUPAC Traditional name
2-hydroxy-3-methylbenzohydrazide
Synonyms
2-Hydroxy-3-methylbenzhydrazide
3-Methylsalicylhydrazide
2-Hydroxy-3-methylbenzhydrazide
2-hydroxy-3-methylbenzohydrazide
2-羟基-3-甲基亚苯基肼
CAS Number
30991-42-5
EC Number
000-000-0
MDL Number
MFCD00017052
Beilstein Number
2639905
PubChem SID
162057218
PubChem CID
141603

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 141603 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.489828  H Acceptors
H Donor LogD (pH = 5.5) 1.3864293 
LogD (pH = 7.4) 1.3535501  Log P 1.3872665 
Molar Refractivity 46.6426 cm3 Polarizability 16.974726 Å3
Polar Surface Area 75.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
189-193°C expand Show data source
190-191°C expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle