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61780-06-1 | 3-(4-ethylbenzoyl)pyridine
CAS No: 61780-06-1 Catalog No: AG01AGZL MDL No:MFCD11210659
Product Description
Catalog Number:
AG01AGZL
Chemical Name:
3-(4-ethylbenzoyl)pyridine
CAS Number:
61780-06-1
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
MDL Number:
MFCD11210659
IUPAC Name:
(4-ethylphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C14H13NO/c1-2-11-5-7-12(8-6-11)14(16)13-4-3-9-15-10-13/h3-10H,2H2,1H3
InChI Key:
CAVOJUVKQYRYSQ-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(=O)c1cccnc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.264g/mol
Monoisotopic Mass:
211.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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