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83191-67-7 molecular structure
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4-hydroxy-N-(propan-2-yl)benzamide

ChemBase ID: 310668
Molecular Formular: C10H13NO2
Molecular Mass: 179.21572
Monoisotopic Mass: 179.09462866
SMILES and InChIs

SMILES:
C(=O)(NC(C)C)c1ccc(cc1)O
Canonical SMILES:
CC(NC(=O)c1ccc(cc1)O)C
InChI:
InChI=1S/C10H13NO2/c1-7(2)11-10(13)8-3-5-9(12)6-4-8/h3-7,12H,1-2H3,(H,11,13)
InChIKey:
GOCVDDAVCVFQMM-UHFFFAOYSA-N

Cite this record

CBID:310668 http://www.chembase.cn/molecule-310668.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-hydroxy-N-(propan-2-yl)benzamide
IUPAC Traditional name
4-hydroxy-N-isopropylbenzamide
Synonyms
4-hydroxy-N-isopropylbenzamide
CAS Number
83191-67-7
MDL Number
MFCD00563307

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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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5169238  LogD (pH = 7.4) 1.4826095 
Log P 1.5173799  Molar Refractivity 51.1814 cm3
Polarizability 19.288609 Å3 Polar Surface Area 49.33 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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