Home > Compound List > Compound details
27871-49-4 molecular structure
click picture or here to close

2-hydroxypropanoate

ChemBase ID: 180039
Molecular Formular: C3H5O3-
Molecular Mass: 89.07
Monoisotopic Mass: 89.02386902
SMILES and InChIs

SMILES:
C(=O)(C(O)C)[O-]
Canonical SMILES:
[O-]C(=O)C(O)C
InChI:
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1
InChIKey:
JVTAAEKCZFNVCJ-UHFFFAOYSA-M

Cite this record

CBID:180039 http://www.chembase.cn/molecule-180039.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxypropanoate
IUPAC Traditional name
lactate
Synonyms
L-Lactate
CAS Number
27871-49-4
PubChem SID
164235949
PubChem CID
91435

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Chemik CHO0132 external link Add to cart
PubChem 91435 external link
Data Source Data ID Price
Chemik
CHO0132 external link Add to cart Please log in.
Data Source Data ID
PubChem 91435 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7849424  H Acceptors
H Donor LogD (pH = 5.5) -2.1885695 
LogD (pH = 7.4) -3.7410624  Log P -0.4718295 
Molar Refractivity 29.6769 cm3 Polarizability 7.4274864 Å3
Polar Surface Area 60.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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