Home > Compound List > Compound details
76322-24-2 molecular structure
click picture or here to close

7-methoxy-3,4-dihydro-2H-1-benzopyran-3-one

ChemBase ID: 802972
Molecular Formular: C10H10O3
Molecular Mass: 178.1846
Monoisotopic Mass: 178.06299418
SMILES and InChIs

SMILES:
C1(=O)COc2cc(ccc2C1)OC
Canonical SMILES:
COc1ccc2c(c1)OCC(=O)C2
InChI:
InChI=1S/C10H10O3/c1-12-9-3-2-7-4-8(11)6-13-10(7)5-9/h2-3,5H,4,6H2,1H3
InChIKey:
FZNSDPYTCOXWSZ-UHFFFAOYSA-N

Cite this record

CBID:802972 http://www.chembase.cn/molecule-802972.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxy-3,4-dihydro-2H-1-benzopyran-3-one
IUPAC Traditional name
7-methoxy-2,4-dihydro-1-benzopyran-3-one
Synonyms
7-METHOXY-3-CHROMANONE
CAS Number
76322-24-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O19601 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O19601 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.354754  H Acceptors
H Donor LogD (pH = 5.5) 1.3266062 
LogD (pH = 7.4) 1.3266057  Log P 1.3266062 
Molar Refractivity 47.284 cm3 Polarizability 18.398148 Å3
Polar Surface Area 35.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% 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