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1314987-69-3 | Benzoic acid, 4-(6-amino-3-pyridinyl)-, ethyl ester
CAS No: 1314987-69-3 Catalog No: AG000WCU MDL No:MFCD19684157
Product Description
Catalog Number:
AG000WCU
Chemical Name:
Benzoic acid, 4-(6-amino-3-pyridinyl)-, ethyl ester
CAS Number:
1314987-69-3
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
MDL Number:
MFCD19684157
IUPAC Name:
ethyl 4-(6-aminopyridin-3-yl)benzoate
InChI:
InChI=1S/C14H14N2O2/c1-2-18-14(17)11-5-3-10(4-6-11)12-7-8-13(15)16-9-12/h3-9H,2H2,1H3,(H2,15,16)
InChI Key:
PVTSDRPHLCKQHO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1ccc(nc1)N
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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