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53698-52-5 | 3-Methoxy-5-phenylpyridine
CAS No: 53698-52-5 Catalog No: AG00DJL7 MDL No:MFCD14702089
Product Description
Catalog Number:
AG00DJL7
Chemical Name:
3-Methoxy-5-phenylpyridine
CAS Number:
53698-52-5
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD14702089
IUPAC Name:
3-methoxy-5-phenylpyridine
InChI:
InChI=1S/C12H11NO/c1-14-12-7-11(8-13-9-12)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
AJKQNXMXZIIQRJ-UHFFFAOYSA-N
SMILES:
COc1cncc(c1)c1ccccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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