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10292-61-2 molecular structure
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4-cyclopropylphenol

ChemBase ID: 287579
Molecular Formular: C9H10O
Molecular Mass: 134.1751
Monoisotopic Mass: 134.07316494
SMILES and InChIs

SMILES:
Oc1ccc(C2CC2)cc1
Canonical SMILES:
Oc1ccc(cc1)C1CC1
InChI:
InChI=1S/C9H10O/c10-9-5-3-8(4-6-9)7-1-2-7/h3-7,10H,1-2H2
InChIKey:
IGIWPHRUBXKMAR-UHFFFAOYSA-N

Cite this record

CBID:287579 http://www.chembase.cn/molecule-287579.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-cyclopropylphenol
IUPAC Traditional name
4-cyclopropylphenol
Synonyms
4-Cyclopropylphenol
CAS Number
10292-61-2
MDL Number
MFCD06802405
PubChem SID
180673110
PubChem CID
10986277

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD158138 Please log in.
Data Source Data ID
PubChem 10986277 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.256642  H Acceptors
H Donor LogD (pH = 5.5) 2.450956 
LogD (pH = 7.4) 2.4503634  Log P 2.4509637 
Molar Refractivity 40.4275 cm3 Polarizability 15.656078 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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