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915921-81-2 molecular structure
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3-(hydroxymethyl)-4-propoxybenzaldehyde

ChemBase ID: 312611
Molecular Formular: C11H14O3
Molecular Mass: 194.22706
Monoisotopic Mass: 194.09429431
SMILES and InChIs

SMILES:
c1(c(ccc(c1)C=O)OCCC)CO
Canonical SMILES:
CCCOc1ccc(cc1CO)C=O
InChI:
InChI=1S/C11H14O3/c1-2-5-14-11-4-3-9(7-12)6-10(11)8-13/h3-4,6-7,13H,2,5,8H2,1H3
InChIKey:
HLQBRHXEHNHRJT-UHFFFAOYSA-N

Cite this record

CBID:312611 http://www.chembase.cn/molecule-312611.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(hydroxymethyl)-4-propoxybenzaldehyde
IUPAC Traditional name
3-(hydroxymethyl)-4-propoxybenzaldehyde
Synonyms
3-(hydroxymethyl)-4-propoxybenzaldehyde
CAS Number
915921-81-2
MDL Number
MFCD08753026

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) 1.6400574  LogD (pH = 7.4) 1.6400574 
Log P 1.6400574  Molar Refractivity 55.1937 cm3
Polarizability 20.878708 Å3 Polar Surface Area 46.53 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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