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352330-52-0 molecular structure
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2-oxo-2-(2-propanamidophenyl)acetic acid

ChemBase ID: 311591
Molecular Formular: C11H11NO4
Molecular Mass: 221.20934
Monoisotopic Mass: 221.06880784
SMILES and InChIs

SMILES:
C(=O)(c1c(NC(=O)CC)cccc1)C(=O)O
Canonical SMILES:
CCC(=O)Nc1ccccc1C(=O)C(=O)O
InChI:
InChI=1S/C11H11NO4/c1-2-9(13)12-8-6-4-3-5-7(8)10(14)11(15)16/h3-6H,2H2,1H3,(H,12,13)(H,15,16)
InChIKey:
XDZDGUFFZKSXRH-UHFFFAOYSA-N

Cite this record

CBID:311591 http://www.chembase.cn/molecule-311591.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-oxo-2-(2-propanamidophenyl)acetic acid
IUPAC Traditional name
oxo(2-propanamidophenyl)acetic acid
Synonyms
oxo[2-(propionylamino)phenyl]acetic acid
CAS Number
352330-52-0
MDL Number
MFCD02376096

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) -0.6194335  LogD (pH = 7.4) -1.4201751 
Log P 2.0787337  Molar Refractivity 57.7456 cm3
Polarizability 21.361319 Å3 Polar Surface Area 83.47 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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