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119825-27-3 | 1H-Indole-2-carboxylic acid, 6-(formylamino)-5-methoxy-, ethyl ester
CAS No: 119825-27-3 Catalog No: AG000PPY MDL No:
Product Description
Catalog Number:
AG000PPY
Chemical Name:
1H-Indole-2-carboxylic acid, 6-(formylamino)-5-methoxy-, ethyl ester
CAS Number:
119825-27-3
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
IUPAC Name:
ethyl 6-formamido-5-methoxy-1H-indole-2-carboxylate
InChI:
InChI=1S/C13H14N2O4/c1-3-19-13(17)11-4-8-5-12(18-2)10(14-7-16)6-9(8)15-11/h4-7,15H,3H2,1-2H3,(H,14,16)
InChI Key:
BXQGUJOZARLMQY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1)cc(c(c2)NC=O)OC
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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