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89667-30-1 | Benzoic acid, 4-(3-pyridinylcarbonyl)-, methyl ester
CAS No: 89667-30-1 Catalog No: AG0043I2 MDL No:
Product Description
Catalog Number:
AG0043I2
Chemical Name:
Benzoic acid, 4-(3-pyridinylcarbonyl)-, methyl ester
CAS Number:
89667-30-1
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
IUPAC Name:
methyl 4-(pyridine-3-carbonyl)benzoate
InChI:
InChI=1S/C14H11NO3/c1-18-14(17)11-6-4-10(5-7-11)13(16)12-3-2-8-15-9-12/h2-9H,1H3
InChI Key:
GUDNLJQKKDZCKS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(=O)c1cccnc1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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