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148438-03-3 molecular structure
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methyl 4-cyclopropylbenzoate

ChemBase ID: 795901
Molecular Formular: C11H12O2
Molecular Mass: 176.21178
Monoisotopic Mass: 176.08372962
SMILES and InChIs

SMILES:
c1(C(=O)OC)ccc(cc1)C1CC1
Canonical SMILES:
COC(=O)c1ccc(cc1)C1CC1
InChI:
InChI=1S/C11H12O2/c1-13-11(12)10-6-4-9(5-7-10)8-2-3-8/h4-8H,2-3H2,1H3
InChIKey:
AZIWZLOGNAEWLR-UHFFFAOYSA-N

Cite this record

CBID:795901 http://www.chembase.cn/molecule-795901.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 4-cyclopropylbenzoate
IUPAC Traditional name
methyl 4-cyclopropylbenzoate
Synonyms
Methyl 4-cyclopropylbenzoate
CAS Number
148438-03-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1033 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O1033 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.758006  LogD (pH = 7.4) 2.758006 
Log P 2.758006  Molar Refractivity 50.4719 cm3
Polarizability 19.461433 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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