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27693-43-2

27693-43-2 | 2-[3,4-(Methylenedioxy)benzoyl]pyridine

CAS No: 27693-43-2 Catalog No: AG01EUNU MDL No:

Product Description

Catalog Number:
AG01EUNU
Chemical Name:
2-[3,4-(Methylenedioxy)benzoyl]pyridine
CAS Number:
27693-43-2
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
IUPAC Name:
1,3-benzodioxol-5-yl(pyridin-2-yl)methanone
InChI:
InChI=1S/C13H9NO3/c15-13(10-3-1-2-6-14-10)9-4-5-11-12(7-9)17-8-16-11/h1-7H,8H2
InChI Key:
ZBXUKTSLIBYWEA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)OCO2)c1ccccn1

Properties

Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.058g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.219g/mol
Monoisotopic Mass:
227.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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