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18422-83-8 molecular structure
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2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one

ChemBase ID: 127036
Molecular Formular: C15H12O7
Molecular Mass: 304.25158
Monoisotopic Mass: 304.05830272
SMILES and InChIs

SMILES:
c1cc(c(cc1O)O)C1C(C(=O)c2c(cc(cc2O1)O)O)O
Canonical SMILES:
Oc1ccc(c(c1)O)C1Oc2cc(O)cc(c2C(=O)C1O)O
InChI:
InChI=1S/C15H12O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,14-19,21H
InChIKey:
QIWOFDHUQPJCJF-UHFFFAOYSA-N

Cite this record

CBID:127036 http://www.chembase.cn/molecule-127036.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC Traditional name
dihydromorin
Synonyms
Dihydromorin
CAS Number
18422-83-8
PubChem SID
162221359
PubChem CID
5458714
362637
Wikipedia Title
Dihydromorin

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.78424  H Acceptors
H Donor LogD (pH = 5.5) 1.8141487 
LogD (pH = 7.4) 1.6641566  Log P 1.8163843 
Molar Refractivity 74.6089 cm3 Polarizability 28.60944 Å3
Polar Surface Area 127.45 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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