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6687-87-2 | Propanedioic acid,2-[(3,4-dihydro-1(2H)-quinolinyl)methylene]-, 1,3-diethyl ester
CAS No: 6687-87-2 Catalog No: AG006QAP MDL No:
Product Description
Catalog Number:
AG006QAP
Chemical Name:
Propanedioic acid,2-[(3,4-dihydro-1(2H)-quinolinyl)methylene]-, 1,3-diethyl ester
CAS Number:
6687-87-2
Molecular Formula:
C17H21NO4
Molecular Weight:
303.3529
IUPAC Name:
diethyl 2-(3,4-dihydro-2H-quinolin-1-ylmethylidene)propanedioate
InChI:
InChI=1S/C17H21NO4/c1-3-21-16(19)14(17(20)22-4-2)12-18-11-7-9-13-8-5-6-10-15(13)18/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3
InChI Key:
FRULCXSCLFPAIU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CN1CCCc2c1cccc2)C(=O)OCC
NSC Number:
87839
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.358g/mol
Monoisotopic Mass:
303.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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