2,2-Bis(hydroxymethyl)propanedinitrile - CAS 86850-86-4
Catalog: |
BB072928 |
Product Name: |
2,2-Bis(hydroxymethyl)propanedinitrile |
CAS: |
86850-86-4 |
Synonyms: |
2,2-bis(hydroxymethyl)propanedinitrile; 2,2-Bis(hydroxymethyl)malononitrile |
IUPAC Name: | 2,2-bis(hydroxymethyl)propanedinitrile |
Molecular Weight: | 126.11 |
Molecular Formula: | C5H6N2O2 |
Canonical SMILES: | C(C(CO)(C#N)C#N)O |
InChI: | InChI=1S/C5H6N2O2/c6-1-5(2-7,3-8)4-9/h8-9H,3-4H2 |
InChI Key: | CEMBNVVFIUYGOI-UHFFFAOYSA-N |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.042927438 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 88Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.6 |
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