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89242-76-2 | 3-Pyridinemethanol, a-methyl-a-2-propynyl-
CAS No: 89242-76-2 Catalog No: AG00IFM0 MDL No:MFCD28153672
Product Description
Catalog Number:
AG00IFM0
Chemical Name:
3-Pyridinemethanol, a-methyl-a-2-propynyl-
CAS Number:
89242-76-2
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD28153672
IUPAC Name:
2-pyridin-3-ylpent-4-yn-2-ol
InChI:
InChI=1S/C10H11NO/c1-3-6-10(2,12)9-5-4-7-11-8-9/h1,4-5,7-8,12H,6H2,2H3
InChI Key:
FYQPOOSNURAQBR-UHFFFAOYSA-N
SMILES:
C#CCC(c1cccnc1)(O)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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