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330638-41-0 molecular structure
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2-[5-(methoxymethyl)furan-2-amido]benzoic acid

ChemBase ID: 311402
Molecular Formular: C14H13NO5
Molecular Mass: 275.25672
Monoisotopic Mass: 275.07937252
SMILES and InChIs

SMILES:
c1(C(=O)Nc2c(C(=O)O)cccc2)oc(cc1)COC
Canonical SMILES:
COCc1ccc(o1)C(=O)Nc1ccccc1C(=O)O
InChI:
InChI=1S/C14H13NO5/c1-19-8-9-6-7-12(20-9)13(16)15-11-5-3-2-4-10(11)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKey:
HBWCAGUDVJJUJD-UHFFFAOYSA-N

Cite this record

CBID:311402 http://www.chembase.cn/molecule-311402.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[5-(methoxymethyl)furan-2-amido]benzoic acid
IUPAC Traditional name
2-[5-(methoxymethyl)furan-2-amido]benzoic acid
Synonyms
2-{[5-(methoxymethyl)-2-furoyl]amino}benzoic acid
CAS Number
330638-41-0
MDL Number
MFCD00490516

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.2818116  LogD (pH = 7.4) -1.132275 
Log P 2.228738  Molar Refractivity 72.6832 cm3
Polarizability 26.59004 Å3 Polar Surface Area 88.77 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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