3-sulfolactate - CAS 38769-05-0
Catalog: |
BB072654 |
Product Name: |
3-sulfolactate |
CAS: |
38769-05-0 |
Synonyms: |
2-hydroxy-3-sulfopropanoic acid; 3-Sulfolactate; 3-sulfolactic acid; 2-hydroxy-3-sulfopropanoicacid |
IUPAC Name: | 2-hydroxy-3-sulfopropanoic acid |
Description: | 3-sulfolactate (cas# 38769-05-0) is a useful research chemical. |
Molecular Weight: | 170.14 |
Molecular Formula: | C3H6O6S |
Canonical SMILES: | C(C(C(=O)O)O)S(=O)(=O)O |
InChI: | InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9) |
InChI Key: | CQQGIWJSICOUON-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.98850908 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.98850908 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 120Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.9 |
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