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748158-87-4 | Butanoic acid, 3-[(2,4-dinitrophenyl)hydrazono]-, 1,1-dimethylethyl ester
CAS No: 748158-87-4 Catalog No: AG008OUM MDL No:
Product Description
Catalog Number:
AG008OUM
Chemical Name:
Butanoic acid, 3-[(2,4-dinitrophenyl)hydrazono]-, 1,1-dimethylethyl ester
CAS Number:
748158-87-4
Molecular Formula:
C14H18N4O6
Molecular Weight:
338.3159
IUPAC Name:
tert-butyl 3-[(2,4-dinitrophenyl)hydrazinylidene]butanoate
InChI:
InChI=1S/C14H18N4O6/c1-9(7-13(19)24-14(2,3)4)15-16-11-6-5-10(17(20)21)8-12(11)18(22)23/h5-6,8,16H,7H2,1-4H3
InChI Key:
RWOVCRQPFGQOIZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.123g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.32g/mol
Monoisotopic Mass:
338.123g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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