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830329-24-3 | Benzenemethanol, 4-(3-pyridinylethynyl)-
CAS No: 830329-24-3 Catalog No: AG005CPT MDL No:
Product Description
Catalog Number:
AG005CPT
Chemical Name:
Benzenemethanol, 4-(3-pyridinylethynyl)-
CAS Number:
830329-24-3
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
IUPAC Name:
[4-(2-pyridin-3-ylethynyl)phenyl]methanol
InChI:
InChI=1S/C14H11NO/c16-11-14-7-4-12(5-8-14)3-6-13-2-1-9-15-10-13/h1-2,4-5,7-10,16H,11H2
InChI Key:
SHSBSAZHWHUONA-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)C#Cc1cccnc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.248g/mol
Monoisotopic Mass:
209.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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