Home > Compound List > Compound details
74205-24-6 molecular structure
click picture or here to close

1-(2-methoxyphenyl)cyclopropane-1-carboxylic acid

ChemBase ID: 90622
Molecular Formular: C11H12O3
Molecular Mass: 192.21118
Monoisotopic Mass: 192.07864424
SMILES and InChIs

SMILES:
OC(=O)C1(c2ccccc2OC)CC1
Canonical SMILES:
COc1ccccc1C1(CC1)C(=O)O
InChI:
InChI=1S/C11H12O3/c1-14-9-5-3-2-4-8(9)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey:
CZPYUTXQDVNAFL-UHFFFAOYSA-N

Cite this record

CBID:90622 http://www.chembase.cn/molecule-90622.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-methoxyphenyl)cyclopropane-1-carboxylic acid
IUPAC Traditional name
1-(2-methoxyphenyl)cyclopropane-1-carboxylic acid
Synonyms
2-(1-Carboxycycloprop-1-yl)anisole
1-Carboxy-1-(2-methoxyphenyl)cyclopropane
1-(2-Methoxyphenyl)cyclopropane-1-carboxylic acid
CAS Number
74205-24-6
MDL Number
MFCD00297169
PubChem SID
162077411
PubChem CID
18400011

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18400011 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.044055  H Acceptors
H Donor LogD (pH = 5.5) 0.62136394 
LogD (pH = 7.4) -1.0446607  Log P 2.0885975 
Molar Refractivity 51.1021 cm3 Polarizability 20.001345 Å3
Polar Surface Area 46.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
131 - 133°C expand Show data source
Hydrophobicity(logP)
1.677 expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle