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105337-42-6 molecular structure
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4-methoxy-2-methyl-5-(propan-2-yl)benzaldehyde

ChemBase ID: 311595
Molecular Formular: C12H16O2
Molecular Mass: 192.25424
Monoisotopic Mass: 192.11502975
SMILES and InChIs

SMILES:
c1(cc(c(cc1OC)C)C=O)C(C)C
Canonical SMILES:
COc1cc(C)c(cc1C(C)C)C=O
InChI:
InChI=1S/C12H16O2/c1-8(2)11-6-10(7-13)9(3)5-12(11)14-4/h5-8H,1-4H3
InChIKey:
UREBGRBNUQCTAF-UHFFFAOYSA-N

Cite this record

CBID:311595 http://www.chembase.cn/molecule-311595.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxy-2-methyl-5-(propan-2-yl)benzaldehyde
IUPAC Traditional name
5-isopropyl-4-methoxy-2-methylbenzaldehyde
Synonyms
5-isopropyl-4-methoxy-2-methylbenzaldehyde
CAS Number
105337-42-6
MDL Number
MFCD02629380

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) 3.2865074  LogD (pH = 7.4) 3.2865074 
Log P 3.2865074  Molar Refractivity 58.3372 cm3
Polarizability 21.950615 Å3 Polar Surface Area 26.3 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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