2-Phenylbut-3-en-2-ol - CAS 6051-52-1
Catalog: |
BB058387 |
Product Name: |
2-Phenylbut-3-en-2-ol |
CAS: |
6051-52-1 |
Synonyms: |
2-phenylbut-3-en-2-ol; 3-Buten-2-ol, 2-phenyl-; 2-Phenyl-3-buten-2-ol; 3-Phenyl-1-butene-3-ol; 2-Phenyl-3-buten-ol; Ethenylmethylphenylcarbinol; 2-phenyl-but-3-en-2-ol |
IUPAC Name: | 2-phenylbut-3-en-2-ol |
Molecular Weight: | 148.2 |
Molecular Formula: | C10H12O |
Canonical SMILES: | CC(C=C)(C1=CC=CC=C1)O |
InChI: | InChI=1S/C10H12O/c1-3-10(2,11)9-7-5-4-6-8-9/h3-8,11H,1H2,2H3 |
InChI Key: | LRYWJUOPPCVNFT-UHFFFAOYSA-N |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.088815002 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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