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25927-67-7 | Benzoic acid, 4-[(3-pyridinylmethylene)amino]-, ethyl ester
CAS No: 25927-67-7 Catalog No: AG002R3E MDL No:
Product Description
Catalog Number:
AG002R3E
Chemical Name:
Benzoic acid, 4-[(3-pyridinylmethylene)amino]-, ethyl ester
CAS Number:
25927-67-7
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
IUPAC Name:
ethyl 4-(pyridin-3-ylmethylideneamino)benzoate
InChI:
InChI=1S/C15H14N2O2/c1-2-19-15(18)13-5-7-14(8-6-13)17-11-12-4-3-9-16-10-12/h3-11H,2H2,1H3
InChI Key:
GNIJCDQVSPKPCR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N=Cc1cccnc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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