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Home > Nitro Compounds > 141211-53-2
141211-53-2 | Butanedioic acid, [(2-nitrophenyl)hydrazono]-, dimethyl ester, (E)- (9CI)
CAS No: 141211-53-2 Catalog No: AG001G30 MDL No:
Product Description
Catalog Number:
AG001G30
Chemical Name:
Butanedioic acid, [(2-nitrophenyl)hydrazono]-, dimethyl ester, (E)- (9CI)
CAS Number:
141211-53-2
Molecular Formula:
C12H13N3O6
Molecular Weight:
295.2481
IUPAC Name:
dimethyl 2-[(2-nitrophenyl)hydrazinylidene]butanedioate
InChI:
InChI=1S/C12H13N3O6/c1-20-11(16)7-9(12(17)21-2)14-13-8-5-3-4-6-10(8)15(18)19/h3-6,13H,7H2,1-2H3
InChI Key:
DLYFOMPTIYJWRR-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=N/Nc1ccccc1[N+](=O)[O-])/CC(=O)OC
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.251g/mol
Monoisotopic Mass:
295.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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