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1189876-86-5 molecular structure
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(2H7)naphthalen-1-ylmethanol

ChemBase ID: 174980
Molecular Formular: C11H10O
Molecular Mass: 158.1965
Monoisotopic Mass: 158.07316494
SMILES and InChIs

SMILES:
c12c(cccc1CO)cccc2
Canonical SMILES:
OCc1cccc2c1cccc2
InChI:
InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2
InChIKey:
PBLNHHSDYFYZNC-UHFFFAOYSA-N

Cite this record

CBID:174980 http://www.chembase.cn/molecule-174980.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H7)naphthalen-1-ylmethanol
IUPAC Traditional name
(2H7)naphthalen-1-ylmethanol
Synonyms
α-Naphthylmethanol-d7
α-Naphthylcarbinol-d7
Naphthalen-1-ylmethanol-d7
NSC 5315-d7
1-Naphthalenemethanol-d7
CAS Number
1189876-86-5
PubChem SID
164230890
PubChem CID
45039995

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC N372552 external link Add to cart
PubChem 45039995 external link
Data Source Data ID Price
TRC
N372552 external link Add to cart Please log in.
Data Source Data ID
PubChem 45039995 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.140903  H Acceptors
H Donor LogD (pH = 5.5) 2.1953728 
LogD (pH = 7.4) 2.1953728  Log P 2.1953728 
Molar Refractivity 49.3241 cm3 Polarizability 20.436602 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Benzene expand Show data source
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
Yellow Solid expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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