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35613-44-6 molecular structure
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methyl 2-(2-aminophenyl)acetate

ChemBase ID: 69123
Molecular Formular: C9H11NO2
Molecular Mass: 165.18914
Monoisotopic Mass: 165.0789786
SMILES and InChIs

SMILES:
C(=O)(Cc1c(cccc1)N)OC
Canonical SMILES:
COC(=O)Cc1ccccc1N
InChI:
InChI=1S/C9H11NO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6,10H2,1H3
InChIKey:
BWQBYHGDMBHIIQ-UHFFFAOYSA-N

Cite this record

CBID:69123 http://www.chembase.cn/molecule-69123.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-(2-aminophenyl)acetate
IUPAC Traditional name
methyl 2-(2-aminophenyl)acetate
Synonyms
Methyl 2-(2-aminophenyl)acetate
METHYL (2-AMINO-PHENYL)-ACETATE
CAS Number
35613-44-6
MDL Number
MFCD04973395
PubChem SID
162034852
PubChem CID
5743389

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.92253256  LogD (pH = 7.4) 0.9278934 
Log P 0.9279622  Molar Refractivity 46.8351 cm3
Polarizability 17.755697 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
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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