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1256643-38-5 molecular structure
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9-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid

ChemBase ID: 309601
Molecular Formular: C9H6N2O4
Molecular Mass: 206.15494
Monoisotopic Mass: 206.03275668
SMILES and InChIs

SMILES:
n12c(=O)c(cnc1c(ccc2)O)C(=O)O
Canonical SMILES:
OC(=O)c1cnc2n(c1=O)cccc2O
InChI:
InChI=1S/C9H6N2O4/c12-6-2-1-3-11-7(6)10-4-5(8(11)13)9(14)15/h1-4,12H,(H,14,15)
InChIKey:
LYFDMKUCZBAGTG-UHFFFAOYSA-N

Cite this record

CBID:309601 http://www.chembase.cn/molecule-309601.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
IUPAC Traditional name
9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
Synonyms
9-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
CAS Number
1256643-38-5
MDL Number
MFCD18381939

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) -2.0372806  LogD (pH = 7.4) -3.4761276 
Log P -0.12151498  Molar Refractivity 50.9708 cm3
Polarizability 18.347263 Å3 Polar Surface Area 90.2 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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