Home > Compound List > Compound details
144-55-8 molecular structure
click picture or here to close

sodium hydrogen (12C)carbonate

ChemBase ID: 138439
Molecular Formular: CHNaO3
Molecular Mass: 83.99591
Monoisotopic Mass: 83.98233817
SMILES and InChIs

SMILES:
[12C](=O)(O)[O-].[Na+]
Canonical SMILES:
[O-][12C](=O)O.[Na+]
InChI:
InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1/i1+0;
InChIKey:
UIIMBOGNXHQVGW-XUGDXVOUSA-M

Cite this record

CBID:138439 http://www.chembase.cn/molecule-138439.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium hydrogen (12C)carbonate
IUPAC Traditional name
sodium hydrogen (12C)carbonate
Synonyms
Sodium hydrogencarbonate-12C
Sodium bicarbonate-12C
碳酸氢钠-12C
重碳酸钠-12C
CAS Number
144-55-8
EC Number
205-633-8
MDL Number
MFCD00198005
PubChem SID
162232695
PubChem CID
71310145

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
487031 external link Add to cart Please log in.
Data Source Data ID
PubChem 71310145 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.0525417  H Acceptors
H Donor LogD (pH = 5.5) 0.142811 
LogD (pH = 7.4) -1.1138874  Log P 0.25005138 
Molar Refractivity 20.3353 cm3 Polarizability 3.759794 Å3
Polar Surface Area 60.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
>300 °C(lit.) expand Show data source
Mass Shift
depleted expand Show data source
RTECS
VZ0950000 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Isotopic Purity
99.9 atom % 12C expand Show data source
Description
13C-depleted expand Show data source
Mol. Weight
mol wt 84.00 by atom % calculation expand Show data source
Linear Formula
NaH12CO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 487031 external link
Packaging
5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

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