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517907-46-9 | 2-Pyridinemethanol,alpha-2-propynyl-(9CI)
CAS No: 517907-46-9 Catalog No: AG00E80C MDL No:MFCD16698288
Product Description
Catalog Number:
AG00E80C
Chemical Name:
2-Pyridinemethanol,alpha-2-propynyl-(9CI)
CAS Number:
517907-46-9
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD16698288
IUPAC Name:
1-pyridin-2-ylbut-3-yn-1-ol
InChI:
InChI=1S/C9H9NO/c1-2-5-9(11)8-6-3-4-7-10-8/h1,3-4,6-7,9,11H,5H2
InChI Key:
NVDVCNWQHHSEGQ-UHFFFAOYSA-N
SMILES:
C#CCC(c1ccccn1)O
Properties
Complexity:
158
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:
0.6
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