Home > Compound List > Compound details
5060-82-2 molecular structure
click picture or here to close

7-methoxynaphthalen-2-ol

ChemBase ID: 150522
Molecular Formular: C11H10O2
Molecular Mass: 174.1959
Monoisotopic Mass: 174.06807956
SMILES and InChIs

SMILES:
COc1ccc2ccc(cc2c1)O
Canonical SMILES:
COc1ccc2c(c1)cc(cc2)O
InChI:
InChI=1S/C11H10O2/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h2-7,12H,1H3
InChIKey:
UNFNRIIETORURP-UHFFFAOYSA-N

Cite this record

CBID:150522 http://www.chembase.cn/molecule-150522.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxynaphthalen-2-ol
IUPAC Traditional name
7-methoxynaphthalen-2-ol
Synonyms
7-Methoxy-2-naphthol
7-methoxy-2-naphthol
7-methoxynaphthalen-2-ol
7-甲氧基-2-萘酚
CAS Number
5060-82-2
MDL Number
MFCD00075494
Beilstein Number
2207279
PubChem SID
24862762
162244683
24883812
PubChem CID
853173

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.769917  H Acceptors
H Donor LogD (pH = 5.5) 2.5014627 
LogD (pH = 7.4) 2.499648  Log P 2.501486 
Molar Refractivity 50.9523 cm3 Polarizability 20.993546 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
116-119 °C expand Show data source
116-119 °C(lit.) expand Show data source
117 - 119°C expand Show data source
Hydrophobicity(logP)
2.703 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (HPLC) expand Show data source
95% expand Show data source
98% expand Show data source
min 98% expand Show data source
Grade
purum expand Show data source
Linear Formula
CH3OC10H6OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 367508 external link
Packaging
5, 25 g in glass bottle

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