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343786-85-6 molecular structure
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4-amino-3-methylphenyl acetate

ChemBase ID: 796223
Molecular Formular: C9H11NO2
Molecular Mass: 165.18914
Monoisotopic Mass: 165.0789786
SMILES and InChIs

SMILES:
O(C(=O)C)c1cc(c(cc1)N)C
Canonical SMILES:
CC(=O)Oc1ccc(c(c1)C)N
InChI:
InChI=1S/C9H11NO2/c1-6-5-8(12-7(2)11)3-4-9(6)10/h3-5H,10H2,1-2H3
InChIKey:
ODOZNFDAPCQZKO-UHFFFAOYSA-N

Cite this record

CBID:796223 http://www.chembase.cn/molecule-796223.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-3-methylphenyl acetate
IUPAC Traditional name
4-amino-3-methylphenyl acetate
Synonyms
4-amino-3-methylphenyl acetate
CAS Number
343786-85-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1978 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O1978 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2576715  LogD (pH = 7.4) 1.2649091 
Log P 1.2650023  Molar Refractivity 46.932 cm3
Polarizability 17.659773 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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