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872183-67-0 molecular structure
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2-(butan-2-yloxy)-3-methoxybenzaldehyde

ChemBase ID: 311614
Molecular Formular: C12H16O3
Molecular Mass: 208.25364
Monoisotopic Mass: 208.10994437
SMILES and InChIs

SMILES:
c1(c(C=O)cccc1OC)OC(CC)C
Canonical SMILES:
CCC(Oc1c(OC)cccc1C=O)C
InChI:
InChI=1S/C12H16O3/c1-4-9(2)15-12-10(8-13)6-5-7-11(12)14-3/h5-9H,4H2,1-3H3
InChIKey:
FHALBHJLYWQNFN-UHFFFAOYSA-N

Cite this record

CBID:311614 http://www.chembase.cn/molecule-311614.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(butan-2-yloxy)-3-methoxybenzaldehyde
IUPAC Traditional name
3-methoxy-2-(sec-butoxy)benzaldehyde
Synonyms
2-sec-butoxy-3-methoxybenzaldehyde
CAS Number
872183-67-0
MDL Number
MFCD02629694

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) 2.666311  LogD (pH = 7.4) 2.666311 
Log P 2.666311  Molar Refractivity 59.2598 cm3
Polarizability 22.784111 Å3 Polar Surface Area 35.53 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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