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23255-59-6 molecular structure
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2-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]benzoic acid

ChemBase ID: 128130
Molecular Formular: C15H14O4
Molecular Mass: 258.26926
Monoisotopic Mass: 258.08920893
SMILES and InChIs

SMILES:
c1cc(c(c(c1)O)C(=O)O)CCc1ccc(cc1)O
Canonical SMILES:
Oc1ccc(cc1)CCc1cccc(c1C(=O)O)O
InChI:
InChI=1S/C15H14O4/c16-12-8-5-10(6-9-12)4-7-11-2-1-3-13(17)14(11)15(18)19/h1-3,5-6,8-9,16-17H,4,7H2,(H,18,19)
InChIKey:
GFSQDOUEUWXRSL-UHFFFAOYSA-N

Cite this record

CBID:128130 http://www.chembase.cn/molecule-128130.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]benzoic acid
IUPAC Traditional name
lunularic acid
Synonyms
Lunularic acid
CAS Number
23255-59-6
PubChem SID
162222444
PubChem CID
161413
Wikipedia Title
Lunularic_acid

DATA SOURCES

DATA SOURCES

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.630954  H Acceptors
H Donor LogD (pH = 5.5) 1.4262695 
LogD (pH = 7.4) 0.70434946  Log P 4.2100606 
Molar Refractivity 71.6142 cm3 Polarizability 26.993788 Å3
Polar Surface Area 77.76 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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