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1260892-06-5 | 1H-Indole-1,7-dicarboxylic acid, 2,3-dihydro-, 1-(phenylmethyl) ester
CAS No: 1260892-06-5 Catalog No: AG000RJT MDL No:
Product Description
Catalog Number:
AG000RJT
Chemical Name:
1H-Indole-1,7-dicarboxylic acid, 2,3-dihydro-, 1-(phenylmethyl) ester
CAS Number:
1260892-06-5
Molecular Formula:
C17H14NO4-
Molecular Weight:
296.2974
IUPAC Name:
1-phenylmethoxycarbonyl-2,3-dihydroindole-7-carboxylic acid
InChI:
InChI=1S/C17H15NO4/c19-16(20)14-8-4-7-13-9-10-18(15(13)14)17(21)22-11-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,19,20)
InChI Key:
OTNILCFFPMREJD-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c1c(ccc2)C(=O)[O-])OCc1ccccc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.31g/mol
Monoisotopic Mass:
297.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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