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60075-23-2 molecular structure
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2-(3,4-dimethoxyphenyl)acetohydrazide

ChemBase ID: 52395
Molecular Formular: C10H14N2O3
Molecular Mass: 210.22976
Monoisotopic Mass: 210.10044232
SMILES and InChIs

SMILES:
c1(cc(c(cc1)OC)OC)CC(=O)NN
Canonical SMILES:
NNC(=O)Cc1ccc(c(c1)OC)OC
InChI:
InChI=1S/C10H14N2O3/c1-14-8-4-3-7(5-9(8)15-2)6-10(13)12-11/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKey:
HRMXYTRKEOUMNG-UHFFFAOYSA-N

Cite this record

CBID:52395 http://www.chembase.cn/molecule-52395.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3,4-dimethoxyphenyl)acetohydrazide
IUPAC Traditional name
2-(3,4-dimethoxyphenyl)acetohydrazide
Synonyms
3,4-Dimethoxyphenylacetic acid hydrazide
3,4-Dimethoxyphenylacethydrazide
Homoveratric acid hydrazide
3,4-Dimethoxyphenylacetic acid hydrazide
2-(3,4-dimethoxyphenyl)ethanohydrazide
3,4-Dimethoxyphenylacethydrazide 98%
3,4-二甲氧基苯乙酰肼
CAS Number
60075-23-2
EC Number
000-000-0
MDL Number
MFCD00051701
Beilstein Number
2698478
PubChem SID
162057158
PubChem CID
282482

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.336108  H Acceptors
H Donor LogD (pH = 5.5) 0.19046006 
LogD (pH = 7.4) 0.1922063  Log P 0.19223326 
Molar Refractivity 56.5983 cm3 Polarizability 21.701025 Å3
Polar Surface Area 73.58 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
102-104°C expand Show data source
105-107°C expand Show data source
Storage Warning
IRRITANT expand Show data source
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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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