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23284-85-7 molecular structure
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4-[(2-ethoxy-2-oxoethyl)amino]benzoic acid

ChemBase ID: 311201
Molecular Formular: C11H13NO4
Molecular Mass: 223.22522
Monoisotopic Mass: 223.0844579
SMILES and InChIs

SMILES:
C(=O)(c1ccc(NCC(=O)OCC)cc1)O
Canonical SMILES:
CCOC(=O)CNc1ccc(cc1)C(=O)O
InChI:
InChI=1S/C11H13NO4/c1-2-16-10(13)7-12-9-5-3-8(4-6-9)11(14)15/h3-6,12H,2,7H2,1H3,(H,14,15)
InChIKey:
XKROMXNHACRNPA-UHFFFAOYSA-N

Cite this record

CBID:311201 http://www.chembase.cn/molecule-311201.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(2-ethoxy-2-oxoethyl)amino]benzoic acid
IUPAC Traditional name
4-[(2-ethoxy-2-oxoethyl)amino]benzoic acid
Synonyms
4-[(2-ethoxy-2-oxoethyl)amino]benzoic acid
CAS Number
23284-85-7
MDL Number
MFCD00779527

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.23409933  LogD (pH = 7.4) -1.5435094 
Log P 1.0842922  Molar Refractivity 59.1103 cm3
Polarizability 21.981403 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

INTERNET

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