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70857-08-8 molecular structure
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4-[(2-methoxy-2-oxoethyl)amino]benzoic acid

ChemBase ID: 311926
Molecular Formular: C10H11NO4
Molecular Mass: 209.19864
Monoisotopic Mass: 209.06880784
SMILES and InChIs

SMILES:
C(=O)(c1ccc(NCC(=O)OC)cc1)O
Canonical SMILES:
COC(=O)CNc1ccc(cc1)C(=O)O
InChI:
InChI=1S/C10H11NO4/c1-15-9(12)6-11-8-4-2-7(3-5-8)10(13)14/h2-5,11H,6H2,1H3,(H,13,14)
InChIKey:
VFVUJOLENLODRA-UHFFFAOYSA-N

Cite this record

CBID:311926 http://www.chembase.cn/molecule-311926.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(2-methoxy-2-oxoethyl)amino]benzoic acid
IUPAC Traditional name
4-[(2-methoxy-2-oxoethyl)amino]benzoic acid
Synonyms
4-[(2-methoxy-2-oxoethyl)amino]benzoic acid
CAS Number
70857-08-8
MDL Number
MFCD03716589

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.122708224  LogD (pH = 7.4) -1.9003172 
Log P 0.7274842  Molar Refractivity 54.3617 cm3
Polarizability 20.154879 Å3 Polar Surface Area 75.63 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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