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133427-10-8 molecular structure
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2-methylimidazo[1,2-a]pyridine-8-carboxylic acid

ChemBase ID: 310516
Molecular Formular: C9H8N2O2
Molecular Mass: 176.17202
Monoisotopic Mass: 176.05857751
SMILES and InChIs

SMILES:
c12c(C(=O)O)cccn1cc(n2)C
Canonical SMILES:
Cc1cn2c(n1)c(ccc2)C(=O)O
InChI:
InChI=1S/C9H8N2O2/c1-6-5-11-4-2-3-7(9(12)13)8(11)10-6/h2-5H,1H3,(H,12,13)
InChIKey:
ADVZTFKLJNMYJE-UHFFFAOYSA-N

Cite this record

CBID:310516 http://www.chembase.cn/molecule-310516.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylimidazo[1,2-a]pyridine-8-carboxylic acid
IUPAC Traditional name
2-methylimidazo[1,2-a]pyridine-8-carboxylic acid
Synonyms
2-methylimidazo[1,2-a]pyridine-8-carboxylic acid
CAS Number
133427-10-8

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) -1.240901  LogD (pH = 7.4) -2.088283 
Log P -1.200273  Molar Refractivity 47.7841 cm3
Polarizability 17.41542 Å3 Polar Surface Area 54.6 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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