1-Phenyl-3-butyn-2-ol - CAS 4378-23-8
Catalog: |
BB025459 |
Product Name: |
1-Phenyl-3-butyn-2-ol |
CAS: |
4378-23-8 |
Synonyms: |
1-phenyl-3-butyn-2-ol; 1-phenylbut-3-yn-2-ol |
IUPAC Name: | 1-phenylbut-3-yn-2-ol |
Description: | 1-Phenyl-3-butyn-2-ol (CAS# 4378-23-8) is a useful research chemical. |
Molecular Weight: | 146.19 |
Molecular Formula: | C10H10O |
Canonical SMILES: | C#CC(CC1=CC=CC=C1)O |
InChI: | InChI=1S/C10H10O/c1-2-10(11)8-9-6-4-3-5-7-9/h1,3-7,10-11H,8H2 |
InChI Key: | OCGGBKUCKYBJSC-UHFFFAOYSA-N |
LogP: | 1.22320 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 148 |
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: | 1.6 |
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