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141738-10-5 | Propanedioic acid, 2-[2-(2-azidophenyl)hydrazinylidene]-, 1,3-diethyl ester
CAS No: 141738-10-5 Catalog No: AG001GYD MDL No:
Product Description
Catalog Number:
AG001GYD
Chemical Name:
Propanedioic acid, 2-[2-(2-azidophenyl)hydrazinylidene]-, 1,3-diethyl ester
CAS Number:
141738-10-5
Molecular Formula:
C13H15N5O4
Molecular Weight:
305.2893
IUPAC Name:
diethyl 2-[(2-azidophenyl)hydrazinylidene]propanedioate
InChI:
InChI=1S/C13H15N5O4/c1-3-21-12(19)11(13(20)22-4-2)17-15-9-7-5-6-8-10(9)16-18-14/h5-8,15H,3-4H2,1-2H3
InChI Key:
BGJBOALIKXYPSX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=NNc1ccccc1N=[N+]=[N-])C(=O)OCC
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.294g/mol
Monoisotopic Mass:
305.112g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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