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574-19-6 molecular structure
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1-(2-hydroxynaphthalen-1-yl)ethan-1-one

ChemBase ID: 73499
Molecular Formular: C12H10O2
Molecular Mass: 186.2066
Monoisotopic Mass: 186.06807956
SMILES and InChIs

SMILES:
O=C(c1c(ccc2c1cccc2)O)C
Canonical SMILES:
CC(=O)c1c(O)ccc2c1cccc2
InChI:
InChI=1S/C12H10O2/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-7,14H,1H3
InChIKey:
VUIOUIWZVKVFCI-UHFFFAOYSA-N

Cite this record

CBID:73499 http://www.chembase.cn/molecule-73499.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-hydroxynaphthalen-1-yl)ethan-1-one
IUPAC Traditional name
1-(2-hydroxynaphthalen-1-yl)ethanone
Synonyms
1-Acetyl-2-hydroxynaphthalene
2'-Hydroxy-1'-acetonaphthone
1-Acetyl-2-naphthol
(2-Hydroxynaphthen-1-yl)ethan-1-one
2'-Hydroxy-1'-acetonaphthone
1-(2-hydroxy-1-naphthyl)ethan-1-one
1-Acetyl-2-naphthol
2′-Hydroxy-1′-acetonaphthone
1-乙酰基-2-萘酚
2-羟基-1-萘乙酮
CAS Number
574-19-6
EC Number
209-369-4
MDL Number
MFCD00012131
Beilstein Number
1869900
PubChem SID
162038418
24858292
PubChem CID
68455

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.953447  H Acceptors
H Donor LogD (pH = 5.5) 2.866653 
LogD (pH = 7.4) 2.8549185  Log P 2.8668048 
Molar Refractivity 54.8919 cm3 Polarizability 22.21455 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
63-67°C expand Show data source
65-67 °C(lit.) expand Show data source
65-67°C expand Show data source
Boiling Point
130-132°C/2mm expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
99% expand Show data source
Linear Formula
HOC10H6COCH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 303054 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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