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73620-18-5 molecular structure
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methyl 2-(4-formylphenoxy)acetate

ChemBase ID: 57300
Molecular Formular: C10H10O4
Molecular Mass: 194.184
Monoisotopic Mass: 194.0579088
SMILES and InChIs

SMILES:
C(=O)(COc1ccc(C=O)cc1)OC
Canonical SMILES:
COC(=O)COc1ccc(cc1)C=O
InChI:
InChI=1S/C10H10O4/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9/h2-6H,7H2,1H3
InChIKey:
TVJPCDPSAWVMHA-UHFFFAOYSA-N

Cite this record

CBID:57300 http://www.chembase.cn/molecule-57300.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-(4-formylphenoxy)acetate
IUPAC Traditional name
methyl 2-(4-formylphenoxy)acetate
Synonyms
methyl 2-(4-formylphenoxy)acetate
Methyl (4-formylphenoxy)acetate
CAS Number
73620-18-5
MDL Number
MFCD00463122
PubChem SID
162062063
PubChem CID
758214

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1519543  LogD (pH = 7.4) 1.1519543 
Log P 1.1519543  Molar Refractivity 49.9589 cm3
Polarizability 19.226631 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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