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56175-44-1 molecular structure
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1-methoxy-2,3-dihydro-1H-inden-2-ol

ChemBase ID: 138844
Molecular Formular: C10H12O2
Molecular Mass: 164.20108
Monoisotopic Mass: 164.08372962
SMILES and InChIs

SMILES:
COC1c2ccccc2CC1O
Canonical SMILES:
COC1C(O)Cc2c1cccc2
InChI:
InChI=1S/C10H12O2/c1-12-10-8-5-3-2-4-7(8)6-9(10)11/h2-5,9-11H,6H2,1H3
InChIKey:
ZHWPZRVYPHGXSF-UHFFFAOYSA-N

Cite this record

CBID:138844 http://www.chembase.cn/molecule-138844.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methoxy-2,3-dihydro-1H-inden-2-ol
IUPAC Traditional name
1-methoxy-2,3-dihydro-1H-inden-2-ol
Synonyms
1-Methoxy-2-indanol
1-甲氧基-2-茚醇
CAS Number
56175-44-1
MDL Number
MFCD00003796
PubChem SID
162233095
PubChem CID
143339

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
193720 external link Add to cart Please log in.
Data Source Data ID
PubChem 143339 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.958715  H Acceptors
H Donor LogD (pH = 5.5) 1.3183432 
LogD (pH = 7.4) 1.318343  Log P 1.3183432 
Molar Refractivity 46.5674 cm3 Polarizability 18.1889 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
146-148 °C/11 mmHg(lit.) expand Show data source
Flash Point
>113 °C expand Show data source
>235.4 °F expand Show data source
Density
1.128 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.548(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C10H12O2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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