Home > Compound List > Compound details
96-26-4 molecular structure
click picture or here to close

1,1-dihydroxypropan-2-one

ChemBase ID: 180156
Molecular Formular: C3H6O3
Molecular Mass: 90.07794
Monoisotopic Mass: 90.03169405
SMILES and InChIs

SMILES:
C(=O)(C(O)O)C
Canonical SMILES:
OC(C(=O)C)O
InChI:
InChI=1S/C3H6O3/c1-2(4)3(5)6/h3,5-6H,1H3
InChIKey:
UOQFZGVGGMHGEE-UHFFFAOYSA-N

Cite this record

CBID:180156 http://www.chembase.cn/molecule-180156.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1-dihydroxypropan-2-one
IUPAC Traditional name
dihydroxy acetone
Synonyms
Dihydroxyacetone
CAS Number
96-26-4
PubChem SID
164236066
PubChem CID
13180982

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Chemik
CHO0204 external link Add to cart Please log in.
Data Source Data ID
PubChem 13180982 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.631034  H Acceptors
H Donor LogD (pH = 5.5) -0.99971116 
LogD (pH = 7.4) -0.99996275  Log P -0.99970794 
Molar Refractivity 19.0954 cm3 Polarizability 7.7056212 Å3
Polar Surface Area 57.53 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