2-Phenyl-3-butyn-2-ol - CAS 127-66-2
Catalog: |
BB006820 |
Product Name: |
2-Phenyl-3-butyn-2-ol |
CAS: |
127-66-2 |
Synonyms: |
2-phenylbut-3-yn-2-ol |
IUPAC Name: | 2-phenylbut-3-yn-2-ol |
Description: | 2-Phenyl-3-butyn-2-ol (CAS# 127-66-2 ) is a useful research chemical. |
Molecular Weight: | 146.19 |
Molecular Formula: | C10H10O |
Canonical SMILES: | CC(C#C)(C1=CC=CC=C1)O |
InChI: | InChI=1S/C10H10O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,4-8,11H,2H3 |
InChI Key: | KSLSOBUAIFEGLT-UHFFFAOYSA-N |
Boiling Point: | 102-103 °C (12 torr) |
Melting Point: | 46-51 °C |
Purity: | 95 % |
Density: | 1.064 g/cm3 |
Appearance: | White to light yellow powder or crystals |
Storage: | 2-8 °C |
MDL: | MFCD00004454 |
LogP: | 1.52730 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.073164938 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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