2,3-Dimethylbut-2-en-1-ol - CAS 19310-95-3
Catalog: |
BB073011 |
Product Name: |
2,3-Dimethylbut-2-en-1-ol |
CAS: |
19310-95-3 |
Synonyms: |
2,3-dimethylbut-2-en-1-ol; 2-methyl-t-penten-3-ol; 2,3-Dimethyl-2-butene-1-ol |
IUPAC Name: | 2,3-dimethylbut-2-en-1-ol |
Molecular Weight: | 100.16 |
Molecular Formula: | C6H12O |
Canonical SMILES: | CC(=C(C)CO)C |
InChI: | InChI=1S/C6H12O/c1-5(2)6(3)4-7/h7H,4H2,1-3H3 |
InChI Key: | CKWZHPCVVYXYEZ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 78.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 100.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 100.088815002 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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