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CAS Number: 1074-75-5
2-(pyridin-2-yl)but-3-yn-2-ol

Structure

2-(pyridin-2-yl)but-3-yn-2-ol
Name: 2-(pyridin-2-yl)but-3-yn-2-ol
Synonyms:
General Information
Product Number: 1074755

CAS Registry Number: 1074-75-5

Name:

2-​Pyridinemethanol, α-​ethynyl-​α-​methyl-
2-​(Pyridin-​2-​yl)​-​3-​butyn-​2-​ol

 

Chemical Formula: C9H9NO
Exact Mass: 147.07
Molecular Weight: 147.17
m/z: 147.07 (100.0%), 148.07 (10.2%)
Elemental Analysis: C, 73.45; H, 6.16; N, 9.52; O, 10.87

 

InChI: InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3
InChIKey: HHGPYJLEJGNWJA-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC

 

Thermal Properties Value Condition Note
Melting Point 89-91 °C   (1)CAS
Melting Point 89-91 °C Solv: ligroine (8032-32-4) (2)CAS

Specification

98%

References
  1. (1) Dabrowski, Z.; Chem. Ind. 1964, (42), P1758 CAPLUS
  2. (2) Wrobel, Jerzy; Roczniki Chemii 1965, V39(9), P1239-44 CAPLUS
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