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71590-08-4 molecular structure
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3-methoxy-5-(methoxycarbonyl)benzoic acid

ChemBase ID: 309814
Molecular Formular: C10H10O5
Molecular Mass: 210.1834
Monoisotopic Mass: 210.05282342
SMILES and InChIs

SMILES:
c1(C(=O)O)cc(C(=O)OC)cc(c1)OC
Canonical SMILES:
COc1cc(cc(c1)C(=O)O)C(=O)OC
InChI:
InChI=1S/C10H10O5/c1-14-8-4-6(9(11)12)3-7(5-8)10(13)15-2/h3-5H,1-2H3,(H,11,12)
InChIKey:
PMYOJVWSJTZGDJ-UHFFFAOYSA-N

Cite this record

CBID:309814 http://www.chembase.cn/molecule-309814.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methoxy-5-(methoxycarbonyl)benzoic acid
IUPAC Traditional name
3-methoxy-5-(methoxycarbonyl)benzoic acid
Synonyms
3-methoxy-5-(methoxycarbonyl)benzoic acid
CAS Number
71590-08-4
MDL Number
MFCD03840746

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) -0.40675336  LogD (pH = 7.4) -1.8620352 
Log P 1.4766344  Molar Refractivity 51.8027 cm3
Polarizability 19.693943 Å3 Polar Surface Area 72.83 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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