Home > Compound List > Compound details
40149-32-4 molecular structure
click picture or here to close

ethyl 3-chloro-2-hydroxypropanoate

ChemBase ID: 168472
Molecular Formular: C5H9ClO3
Molecular Mass: 152.57616
Monoisotopic Mass: 152.02402183
SMILES and InChIs

SMILES:
ClCC(C(=O)OCC)O
Canonical SMILES:
CCOC(=O)C(CCl)O
InChI:
InChI=1S/C5H9ClO3/c1-2-9-5(8)4(7)3-6/h4,7H,2-3H2,1H3
InChIKey:
AYXGLGKNUAYZPX-UHFFFAOYSA-N

Cite this record

CBID:168472 http://www.chembase.cn/molecule-168472.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-chloro-2-hydroxypropanoate
IUPAC Traditional name
ethyl 3-chloro-2-hydroxypropanoate
Synonyms
3-Chloro-2-hydroxy-Propanoic Acid Ethyl Ester
3-Chloro-lactic Acid Ethyl Ester
Ethyl β-Chlorolactate
CAS Number
40149-32-4
PubChem SID
162262604
PubChem CID
12870054

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC E901940 external link Add to cart
PubChem 12870054 external link
Data Source Data ID Price
TRC
E901940 external link Add to cart Please log in.
Data Source Data ID
PubChem 12870054 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.897319  H Acceptors
H Donor LogD (pH = 5.5) 0.3385542 
LogD (pH = 7.4) 0.33854058  Log P 0.33855438 
Molar Refractivity 32.9522 cm3 Polarizability 13.312412 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)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
White Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download 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