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119981-03-2 | 5-(pyridin-3-yl)pent-4-yn-2-ol
CAS No: 119981-03-2 Catalog No: AG01BC60 MDL No:MFCD27942123
Product Description
Catalog Number:
AG01BC60
Chemical Name:
5-(pyridin-3-yl)pent-4-yn-2-ol
CAS Number:
119981-03-2
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD27942123
IUPAC Name:
5-pyridin-3-ylpent-4-yn-2-ol
InChI:
InChI=1S/C10H11NO/c1-9(12)4-2-5-10-6-3-7-11-8-10/h3,6-9,12H,4H2,1H3
InChI Key:
UBUAOCPAKCPXGR-UHFFFAOYSA-N
SMILES:
CC(CC#Cc1cccnc1)O
Properties
Complexity:
189
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:
1.3
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