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10184-98-2 | Propanedioic acid, 2-(1H-indol-3-ylmethyl)-, 1,3-diethyl ester
CAS No: 10184-98-2 Catalog No: AG0005P1 MDL No:
Product Description
Catalog Number:
AG0005P1
Chemical Name:
Propanedioic acid, 2-(1H-indol-3-ylmethyl)-, 1,3-diethyl ester
CAS Number:
10184-98-2
Molecular Formula:
C16H19NO4
Molecular Weight:
289.3264
IUPAC Name:
diethyl 2-(1H-indol-3-ylmethyl)propanedioate
InChI:
InChI=1S/C16H19NO4/c1-3-20-15(18)13(16(19)21-4-2)9-11-10-17-14-8-6-5-7-12(11)14/h5-8,10,13,17H,3-4,9H2,1-2H3
InChI Key:
NRILVVVGVUMKEK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)Cc1c[nH]c2c1cccc2
NSC Number:
52498
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.331g/mol
Monoisotopic Mass:
289.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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