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99357-64-9 | 3-Pyridinemethanol, alpha-ethynyl-alpha-methyl-
CAS No: 99357-64-9 Catalog No: AG00J9Z0 MDL No:MFCD06016190
Product Description
Catalog Number:
AG00J9Z0
Chemical Name:
3-Pyridinemethanol, alpha-ethynyl-alpha-methyl-
CAS Number:
99357-64-9
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD06016190
IUPAC Name:
2-pyridin-3-ylbut-3-yn-2-ol
InChI:
InChI=1S/C9H9NO/c1-3-9(2,11)8-5-4-6-10-7-8/h1,4-7,11H,2H3
InChI Key:
XWHZFQZVLPIWSU-UHFFFAOYSA-N
SMILES:
C#CC(c1cccnc1)(O)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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