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MFCD01319551 molecular structure
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1-methyl-2-(2-methylprop-2-en-1-yl)benzene

ChemBase ID: 73802
Molecular Formular: C11H14
Molecular Mass: 146.22886
Monoisotopic Mass: 146.10955045
SMILES and InChIs

SMILES:
C=C(C)Cc1c(cccc1)C
Canonical SMILES:
CC(=C)Cc1ccccc1C
InChI:
InChI=1S/C11H14/c1-9(2)8-11-7-5-4-6-10(11)3/h4-7H,1,8H2,2-3H3
InChIKey:
JDFFFYNJWMYRJE-UHFFFAOYSA-N

Cite this record

CBID:73802 http://www.chembase.cn/molecule-73802.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-2-(2-methylprop-2-en-1-yl)benzene
IUPAC Traditional name
1-methyl-2-(2-methylprop-2-en-1-yl)benzene
Synonyms
2-Methyl-3-(2-methylphenyl)prop-1-ene
2-(2-Methylprop-2-en-1-yl)toluene
MDL Number
MFCD01319551
PubChem SID
162038721
PubChem CID
22081253

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 22081253 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8285992  LogD (pH = 7.4) 3.8285992 
Log P 3.8285992  Molar Refractivity 49.6685 cm3
Polarizability 19.321196 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Toxic expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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