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71036-28-7 molecular structure
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anthracen-1-ol

ChemBase ID: 34284
Molecular Formular: C14H10O
Molecular Mass: 194.2286
Monoisotopic Mass: 194.07316494
SMILES and InChIs

SMILES:
c1ccc2cc3cccc(c3cc2c1)O
Canonical SMILES:
Oc1cccc2c1cc1ccccc1c2
InChI:
InChI=1S/C14H10O/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9,15H
InChIKey:
MUVQKFGNPGZBII-UHFFFAOYSA-N

Cite this record

CBID:34284 http://www.chembase.cn/molecule-34284.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
anthracen-1-ol
IUPAC Traditional name
1-anthrol
Synonyms
1-Anthrol
CAS Number
71036-28-7
MDL Number
MFCD12027046
PubChem SID
160997591
PubChem CID
123077

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
037035 external link Add to cart Please log in.
Data Source Data ID
PubChem 123077 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.564935  H Acceptors
H Donor LogD (pH = 5.5) 3.6485968 
LogD (pH = 7.4) 3.6456919  Log P 3.648634 
Molar Refractivity 60.9393 cm3 Polarizability 26.211187 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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