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7035-04-3 | Pyridarone
CAS No: 7035-04-3 Catalog No: AG00FFK8 MDL No:MFCD00866973
Product Description
Catalog Number:
AG00FFK8
Chemical Name:
Pyridarone
CAS Number:
7035-04-3
Molecular Formula:
C13H9NO
Molecular Weight:
195.2167
MDL Number:
MFCD00866973
IUPAC Name:
4-(1-benzofuran-2-yl)pyridine
InChI:
InChI=1S/C13H9NO/c1-2-4-12-11(3-1)9-13(15-12)10-5-7-14-8-6-10/h1-9H
InChI Key:
LGTULKCVKOMQDR-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1cc2c(o1)cccc2
UNII:
83L91231V7
NSC Number:
85430
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.221g/mol
Monoisotopic Mass:
195.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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