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125686-90-0 | 2,6-Pyridinedicarboxylic acid, 2-(phenylmethyl) ester
CAS No: 125686-90-0 Catalog No: AG000OHP MDL No:
Product Description
Catalog Number:
AG000OHP
Chemical Name:
2,6-Pyridinedicarboxylic acid, 2-(phenylmethyl) ester
CAS Number:
125686-90-0
Molecular Formula:
C14H10NO4-
Molecular Weight:
256.2335
IUPAC Name:
6-phenylmethoxycarbonylpyridine-2-carboxylate
InChI:
InChI=1S/C14H11NO4/c16-13(17)11-7-4-8-12(15-11)14(18)19-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)/p-1
InChI Key:
BUGIQUUGSSDEMD-UHFFFAOYSA-M
SMILES:
O=C(c1cccc(n1)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:
3
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