Home > Compound List > Compound details
34954-65-9 molecular structure
click picture or here to close

8-methoxy-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

ChemBase ID: 293463
Molecular Formular: C9H7NO4
Molecular Mass: 193.15618
Monoisotopic Mass: 193.03750771
SMILES and InChIs

SMILES:
O=c1[nH]c2c(OC)cccc2c(=O)o1
Canonical SMILES:
COc1cccc2c1[nH]c(=O)oc2=O
InChI:
InChI=1S/C9H7NO4/c1-13-6-4-2-3-5-7(6)10-9(12)14-8(5)11/h2-4H,1H3,(H,10,12)
InChIKey:
ZPTOZGCACQWXJX-UHFFFAOYSA-N

Cite this record

CBID:293463 http://www.chembase.cn/molecule-293463.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-methoxy-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
IUPAC Traditional name
8-methoxy-1H-3,1-benzoxazine-2,4-dione
Synonyms
8-Methoxy-1H-benzo[d][1,3]oxazine-2,4-dione
CAS Number
34954-65-9
PubChem SID
180678994
PubChem CID
10559679

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD28462 Please log in.
Data Source Data ID
PubChem 10559679 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.941811  H Acceptors
H Donor LogD (pH = 5.5) 1.3182877 
LogD (pH = 7.4) 1.3067607  Log P 1.3184369 
Molar Refractivity 48.2895 cm3 Polarizability 17.833862 Å3
Polar Surface Area 64.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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