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88940-57-2 | 5-Hexyn-1-ol, 6-(5-pyrimidinyl)-
CAS No: 88940-57-2 Catalog No: AG0047YZ MDL No:
Product Description
Catalog Number:
AG0047YZ
Chemical Name:
5-Hexyn-1-ol, 6-(5-pyrimidinyl)-
CAS Number:
88940-57-2
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
IUPAC Name:
6-pyrimidin-5-ylhex-5-yn-1-ol
InChI:
InChI=1S/C10H12N2O/c13-6-4-2-1-3-5-10-7-11-9-12-8-10/h7-9,13H,1-2,4,6H2
InChI Key:
SKDRAZZKVWNQCN-UHFFFAOYSA-N
SMILES:
OCCCCC#Cc1cncnc1
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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