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634-65-1 molecular structure
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2,4-dimethylbenzene-1,3-diol

ChemBase ID: 811830
Molecular Formular: C8H10O2
Molecular Mass: 138.1638
Monoisotopic Mass: 138.06807956
SMILES and InChIs

SMILES:
c1(c(c(c(cc1)C)O)C)O
Canonical SMILES:
Oc1ccc(c(c1C)O)C
InChI:
InChI=1S/C8H10O2/c1-5-3-4-7(9)6(2)8(5)10/h3-4,9-10H,1-2H3
InChIKey:
RJWLXGOSIRVRAR-UHFFFAOYSA-N

Cite this record

CBID:811830 http://www.chembase.cn/molecule-811830.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dimethylbenzene-1,3-diol
IUPAC Traditional name
2,4-dimethylbenzene-1,3-diol
Synonyms
2,4-DIMETHYL-1,3-BENZENEDIOL
CAS Number
634-65-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31273 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31273 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.036542  H Acceptors
H Donor LogD (pH = 5.5) 2.3929453 
LogD (pH = 7.4) 2.3919616  Log P 2.392958 
Molar Refractivity 40.1022 cm3 Polarizability 15.065566 Å3
Polar Surface Area 40.46 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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