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Home > Pyridines > 158984-67-9
158984-67-9 | Pyridine, 4-(2-benzofuranyl)-1,2,3,6-tetrahydro-
CAS No: 158984-67-9 Catalog No: AG001R29 MDL No:
Product Description
Catalog Number:
AG001R29
Chemical Name:
Pyridine, 4-(2-benzofuranyl)-1,2,3,6-tetrahydro-
CAS Number:
158984-67-9
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
4-(1-benzofuran-2-yl)-1,2,3,6-tetrahydropyridine
InChI:
InChI=1S/C13H13NO/c1-2-4-12-11(3-1)9-13(15-12)10-5-7-14-8-6-10/h1-5,9,14H,6-8H2
InChI Key:
WRPWAHAJKLEKPZ-UHFFFAOYSA-N
SMILES:
N1CCC(=CC1)c1cc2c(o1)cccc2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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