Home > Compound List > Compound details
32936-76-8 molecular structure
click picture or here to close

1-methylcyclobutane-1-carboxylic acid

ChemBase ID: 235041
Molecular Formular: C6H10O2
Molecular Mass: 114.1424
Monoisotopic Mass: 114.06807956
SMILES and InChIs

SMILES:
C(=O)(C1(CCC1)C)O
Canonical SMILES:
OC(=O)C1(C)CCC1
InChI:
InChI=1S/C6H10O2/c1-6(5(7)8)3-2-4-6/h2-4H2,1H3,(H,7,8)
InChIKey:
GCZGQVRHZLOCDD-UHFFFAOYSA-N

Cite this record

CBID:235041 http://www.chembase.cn/molecule-235041.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methylcyclobutane-1-carboxylic acid
IUPAC Traditional name
1-methylcyclobutane-1-carboxylic acid
Synonyms
1-methylcyclobutane-1-carboxylic acid
1-Methylcyclobutanecarboxylic acid
CAS Number
32936-76-8
MDL Number
MFCD15527494
PubChem SID
164290951
PubChem CID
12757488

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.6776767  H Acceptors
H Donor LogD (pH = 5.5) 0.6746566 
LogD (pH = 7.4) -1.1031908  Log P 1.5570334 
Molar Refractivity 29.1449 cm3 Polarizability 11.591434 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.238 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% 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