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13632-06-9 | Propanedioic acid, 2-[2-(4-methylphenyl)hydrazinylidene]-, 1,3-diethyl ester
CAS No: 13632-06-9 Catalog No: AG0011NN MDL No:
Product Description
Catalog Number:
AG0011NN
Chemical Name:
Propanedioic acid, 2-[2-(4-methylphenyl)hydrazinylidene]-, 1,3-diethyl ester
CAS Number:
13632-06-9
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
IUPAC Name:
diethyl 2-[(4-methylphenyl)hydrazinylidene]propanedioate
InChI:
InChI=1S/C14H18N2O4/c1-4-19-13(17)12(14(18)20-5-2)16-15-11-8-6-10(3)7-9-11/h6-9,15H,4-5H2,1-3H3
InChI Key:
DZBIJOKFHYIFCK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=NNc1ccc(cc1)C)C(=O)OCC
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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