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1013835-99-8 molecular structure
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1-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde

ChemBase ID: 306749
Molecular Formular: C11H10N2O2
Molecular Mass: 202.2093
Monoisotopic Mass: 202.07422757
SMILES and InChIs

SMILES:
n1(ncc(c1)C=O)c1c(OC)cccc1
Canonical SMILES:
COc1ccccc1n1ncc(c1)C=O
InChI:
InChI=1S/C11H10N2O2/c1-15-11-5-3-2-4-10(11)13-7-9(8-14)6-12-13/h2-8H,1H3
InChIKey:
XMYPVLUGOKWAFL-UHFFFAOYSA-N

Cite this record

CBID:306749 http://www.chembase.cn/molecule-306749.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
IUPAC Traditional name
1-(2-methoxyphenyl)pyrazole-4-carbaldehyde
Synonyms
1-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CAS Number
1013835-99-8
MDL Number
MFCD09864239

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) 1.6138872  LogD (pH = 7.4) 1.6138953 
Log P 1.6138954  Molar Refractivity 57.4669 cm3
Polarizability 21.824286 Å3 Polar Surface Area 44.12 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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