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35031-55-1 molecular structure
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1-(2,4-dimethylphenyl)propan-1-one

ChemBase ID: 310505
Molecular Formular: C11H14O
Molecular Mass: 162.22826
Monoisotopic Mass: 162.10446507
SMILES and InChIs

SMILES:
c1(c(cc(cc1)C)C)C(=O)CC
Canonical SMILES:
CCC(=O)c1ccc(cc1C)C
InChI:
InChI=1S/C11H14O/c1-4-11(12)10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3
InChIKey:
UWFRVQVNYNPBEF-UHFFFAOYSA-N

Cite this record

CBID:310505 http://www.chembase.cn/molecule-310505.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,4-dimethylphenyl)propan-1-one
IUPAC Traditional name
1-(2,4-dimethylphenyl)propan-1-one
Synonyms
1-(2,4-dimethylphenyl)propan-1-one
CAS Number
35031-55-1
MDL Number
MFCD01993683

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) 3.258272  LogD (pH = 7.4) 3.258272 
Log P 3.258272  Molar Refractivity 51.1701 cm3
Polarizability 19.452116 Å3 Polar Surface Area 17.07 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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