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10184-96-0 | Propanedioic acid, 2-(1H-indol-3-ylmethylene)-, 1,3-diethyl ester
CAS No: 10184-96-0 Catalog No: AG0005P2 MDL No:MFCD00022744
Product Description
Catalog Number:
AG0005P2
Chemical Name:
Propanedioic acid, 2-(1H-indol-3-ylmethylene)-, 1,3-diethyl ester
CAS Number:
10184-96-0
Molecular Formula:
C16H17NO4
Molecular Weight:
287.3105
MDL Number:
MFCD00022744
IUPAC Name:
diethyl 2-(1H-indol-3-ylmethylidene)propanedioate
InChI:
InChI=1S/C16H17NO4/c1-3-20-15(18)13(16(19)21-4-2)9-11-10-17-14-8-6-5-7-12(11)14/h5-10,17H,3-4H2,1-2H3
InChI Key:
PFJFOJBUEHKUCE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1c[nH]c2c1cccc2)C(=O)OCC
NSC Number:
52507
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.315g/mol
Monoisotopic Mass:
287.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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