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Home > Pyridines > 192643-83-7
192643-83-7 | 3-Butyn-1-ol, 4-(4-pyridinyl)-
CAS No: 192643-83-7 Catalog No: AG002G68 MDL No:MFCD18384538
Product Description
Catalog Number:
AG002G68
Chemical Name:
3-Butyn-1-ol, 4-(4-pyridinyl)-
CAS Number:
192643-83-7
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD18384538
IUPAC Name:
4-pyridin-4-ylbut-3-yn-1-ol
InChI:
InChI=1S/C9H9NO/c11-8-2-1-3-9-4-6-10-7-5-9/h4-7,11H,2,8H2
InChI Key:
VQXIXEAYMBFYMT-UHFFFAOYSA-N
SMILES:
OCCC#Cc1ccncc1
Properties
Complexity:
159
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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