Home > Compound List > Compound details
550-60-7 molecular structure
click picture or here to close

1-nitronaphthalen-2-ol

ChemBase ID: 798260
Molecular Formular: C10H7NO3
Molecular Mass: 189.16748
Monoisotopic Mass: 189.04259309
SMILES and InChIs

SMILES:
c1cc2c(cc1)ccc(c2[N+](=O)[O-])O
Canonical SMILES:
[O-][N+](=O)c1c(O)ccc2c1cccc2
InChI:
InChI=1S/C10H7NO3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H
InChIKey:
SSHIVHKMGVBXTJ-UHFFFAOYSA-N

Cite this record

CBID:798260 http://www.chembase.cn/molecule-798260.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-nitronaphthalen-2-ol
IUPAC Traditional name
1-nitro-2-naphthol
Synonyms
1-NITRO-2-NAPHTHOL
CAS Number
550-60-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10750 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10750 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.432732  H Acceptors
H Donor LogD (pH = 5.5) 2.5516548 
LogD (pH = 7.4) 1.6232669  Log P 2.5991414 
Molar Refractivity 50.8096 cm3 Polarizability 20.296936 Å3
Polar Surface Area 63.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% 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