Home > Compound List > Compound details
20861-99-8 molecular structure
click picture or here to close

2-(naphthalen-2-yl)oxirane

ChemBase ID: 258794
Molecular Formular: C12H10O
Molecular Mass: 170.2072
Monoisotopic Mass: 170.07316494
SMILES and InChIs

SMILES:
O1C(C1)c1cc2c(cc1)cccc2
Canonical SMILES:
c1ccc2c(c1)cc(cc2)C1CO1
InChI:
InChI=1S/C12H10O/c1-2-4-10-7-11(12-8-13-12)6-5-9(10)3-1/h1-7,12H,8H2
InChIKey:
LAGFFQGUWPDQNH-UHFFFAOYSA-N

Cite this record

CBID:258794 http://www.chembase.cn/molecule-258794.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(naphthalen-2-yl)oxirane
IUPAC Traditional name
2-(naphthalen-2-yl)oxirane
Synonyms
2-(naphthalen-2-yl)oxirane
CAS Number
20861-99-8
MDL Number
MFCD01712738
PubChem SID
164314704
PubChem CID
30333

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-42100 external link Add to cart Please log in.
Data Source Data ID
PubChem 30333 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7267416  LogD (pH = 7.4) 2.7267416 
Log P 2.7267416  Molar Refractivity 51.7765 cm3
Polarizability 21.57482 Å3 Polar Surface Area 12.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
57 - 59°C expand Show data source
Hydrophobicity(logP)
2.46 expand Show data source
Purity
95% 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