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38412-47-4 molecular structure
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7-hydroxy-2,5-dimethyl-4H-chromen-4-one

ChemBase ID: 125733
Molecular Formular: C11H10O3
Molecular Mass: 190.1953
Monoisotopic Mass: 190.06299418
SMILES and InChIs

SMILES:
O=c1c2c(oc(c1)C)cc(O)cc2C
Canonical SMILES:
Oc1cc(C)c2c(c1)oc(cc2=O)C
InChI:
InChI=1S/C11H10O3/c1-6-3-8(12)5-10-11(6)9(13)4-7(2)14-10/h3-5,12H,1-2H3
InChIKey:
CRNGFKXWIYTEPH-UHFFFAOYSA-N

Cite this record

CBID:125733 http://www.chembase.cn/molecule-125733.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-hydroxy-2,5-dimethyl-4H-chromen-4-one
IUPAC Traditional name
altechromone A
Synonyms
Altechromone A
Altechromone A
CAS Number
38412-47-4
PubChem SID
162220083
PubChem CID
5316891
CHEMBL
509319
Chemspider ID
4475859
Wikipedia Title
Altechromone_A

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.646188  H Acceptors
H Donor LogD (pH = 5.5) 2.0516598 
LogD (pH = 7.4) 1.2734431  Log P 2.0814095 
Molar Refractivity 54.1293 cm3 Polarizability 19.825659 Å3
Polar Surface Area 46.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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