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52700-25-1 | Ethanone, 1-(4-methoxyphenyl)-2-(3-pyridinyl)-
CAS No: 52700-25-1 Catalog No: AG00I9F9 MDL No:MFCD12910757
Product Description
Catalog Number:
AG00I9F9
Chemical Name:
Ethanone, 1-(4-methoxyphenyl)-2-(3-pyridinyl)-
CAS Number:
52700-25-1
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
MDL Number:
MFCD12910757
IUPAC Name:
1-(4-methoxyphenyl)-2-pyridin-3-ylethanone
InChI:
InChI=1S/C14H13NO2/c1-17-13-6-4-12(5-7-13)14(16)9-11-3-2-8-15-10-11/h2-8,10H,9H2,1H3
InChI Key:
NDBVHXUNBUTGKJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Cc1cccnc1
NSC Number:
42683
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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