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192518-50-6 | 3,5-Pyridinedicarboxylic acid, 3-(phenylmethyl) ester
CAS No: 192518-50-6 Catalog No: AG002G2C MDL No:
Product Description
Catalog Number:
AG002G2C
Chemical Name:
3,5-Pyridinedicarboxylic acid, 3-(phenylmethyl) ester
CAS Number:
192518-50-6
Molecular Formula:
C14H10NO4-
Molecular Weight:
256.2335
IUPAC Name:
5-phenylmethoxycarbonylpyridine-3-carboxylate
InChI:
InChI=1S/C14H11NO4/c16-13(17)11-6-12(8-15-7-11)14(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)/p-1
InChI Key:
HAKNEAWSRQVZJI-UHFFFAOYSA-M
SMILES:
O=C(c1cncc(c1)C(=O)[O-])OCc1ccccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.061g/mol
Formal Charge:
-1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.237g/mol
Monoisotopic Mass:
256.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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