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40925-70-0 molecular structure
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2-amino-5-methoxyphenol

ChemBase ID: 180187
Molecular Formular: C7H9NO2
Molecular Mass: 139.15186
Monoisotopic Mass: 139.06332853
SMILES and InChIs

SMILES:
c1(cc(ccc1N)OC)O
Canonical SMILES:
COc1ccc(c(c1)O)N
InChI:
InChI=1S/C7H9NO2/c1-10-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3
InChIKey:
AOWNYDDZDLTCGB-UHFFFAOYSA-N

Cite this record

CBID:180187 http://www.chembase.cn/molecule-180187.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-5-methoxyphenol
IUPAC Traditional name
2-amino-5-methoxyphenol
Synonyms
2-Amino-5-methyl phenol
CAS Number
40925-70-0
PubChem SID
164236097
PubChem CID
9942163

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Chemik
CHB83120 external link Add to cart Please log in.
Data Source Data ID
PubChem 9942163 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.193602  H Acceptors
H Donor LogD (pH = 5.5) 0.53573203 
LogD (pH = 7.4) 0.67991364  Log P 0.6830833 
Molar Refractivity 39.2025 cm3 Polarizability 14.596205 Å3
Polar Surface Area 55.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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