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20913-35-3 | 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)-, 1,3-diethyl ester
CAS No: 20913-35-3 Catalog No: AG002K28 MDL No:
Product Description
Catalog Number:
AG002K28
Chemical Name:
1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)-, 1,3-diethyl ester
CAS Number:
20913-35-3
Molecular Formula:
C18H30N2O4
Molecular Weight:
338.4418
IUPAC Name:
diethyl 2,4-bis(diethylamino)cyclobuta-1,3-diene-1,3-dicarboxylate
InChI:
InChI=1S/C18H30N2O4/c1-7-19(8-2)15-13(17(21)23-11-5)16(20(9-3)10-4)14(15)18(22)24-12-6/h7-12H2,1-6H3
InChI Key:
RHFCLUSXAFYMQB-UHFFFAOYSA-N
SMILES:
CCN(C1=C(C(=O)OCC)C(=C1C(=O)OCC)N(CC)CC)CC
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.221g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.448g/mol
Monoisotopic Mass:
338.221g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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