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89814-31-3 | Benzoic acid, 4-[(3-pyridinylimino)methyl]-, methyl ester
CAS No: 89814-31-3 Catalog No: AG003XW1 MDL No:
Product Description
Catalog Number:
AG003XW1
Chemical Name:
Benzoic acid, 4-[(3-pyridinylimino)methyl]-, methyl ester
CAS Number:
89814-31-3
Molecular Formula:
C14H12N2O2
Molecular Weight:
240.2573
IUPAC Name:
methyl 4-(pyridin-3-yliminomethyl)benzoate
InChI:
InChI=1S/C14H12N2O2/c1-18-14(17)12-6-4-11(5-7-12)9-16-13-3-2-8-15-10-13/h2-10H,1H3
InChI Key:
TUMXVPSNXIGYPF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C=Nc1cccnc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.262g/mol
Monoisotopic Mass:
240.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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