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917828-31-0 molecular structure
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5-cyclopropyl-1,3-oxazole-4-carboxylic acid

ChemBase ID: 307440
Molecular Formular: C7H7NO3
Molecular Mass: 153.13538
Monoisotopic Mass: 153.04259309
SMILES and InChIs

SMILES:
c1(c(C2CC2)ocn1)C(=O)O
Canonical SMILES:
OC(=O)c1ncoc1C1CC1
InChI:
InChI=1S/C7H7NO3/c9-7(10)5-6(4-1-2-4)11-3-8-5/h3-4H,1-2H2,(H,9,10)
InChIKey:
QZUPPAXAHFHZCC-UHFFFAOYSA-N

Cite this record

CBID:307440 http://www.chembase.cn/molecule-307440.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-cyclopropyl-1,3-oxazole-4-carboxylic acid
IUPAC Traditional name
5-cyclopropyl-1,3-oxazole-4-carboxylic acid
Synonyms
5-cyclopropyl-1,3-oxazole-4-carboxylic acid
CAS Number
917828-31-0
MDL Number
MFCD09864342

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) -0.97570896  LogD (pH = 7.4) -2.6051805 
Log P 0.5819011  Molar Refractivity 35.9947 cm3
Polarizability 13.510632 Å3 Polar Surface Area 63.33 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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