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131424-24-3 | 1H-Indole-1,3-dicarboxylic acid, 3-methyl 1-(phenylmethyl) ester
CAS No: 131424-24-3 Catalog No: AG000W4Z MDL No:
Product Description
Catalog Number:
AG000W4Z
Chemical Name:
1H-Indole-1,3-dicarboxylic acid, 3-methyl 1-(phenylmethyl) ester
CAS Number:
131424-24-3
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
IUPAC Name:
1-O-benzyl 3-O-methyl indole-1,3-dicarboxylate
InChI:
InChI=1S/C18H15NO4/c1-22-17(20)15-11-19(16-10-6-5-9-14(15)16)18(21)23-12-13-7-3-2-4-8-13/h2-11H,12H2,1H3
InChI Key:
JFECJVXRKJGZPY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cn(c2c1cccc2)C(=O)OCc1ccccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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