Name: Name:Butanoic acid,2-[(2-nitrophenyl)methylene]-3-oxo-, 2-(acetyloxy)-2-methylpropyl ester
Brand: Angene
SKU: AG007UJ8
Rating: 90 (10 reviews)

Butanoic acid,2-[(2-nitrophenyl)methylene]-3-oxo-, 2-(acetyloxy)-2-methylpropyl ester

CAS No.:

106685-67-0

Catalog Number:

AG007UJ8

Molecular Formula:

C17H19NO7

Molecular Weight:

349.3353

Catalog Number:

AG007UJ8

Chemical Name:

Butanoic acid,2-[(2-nitrophenyl)methylene]-3-oxo-, 2-(acetyloxy)-2-methylpropyl ester

CAS Number:

106685-67-0

Molecular Formula:

C17H19NO7

Molecular Weight:

349.3353

MDL Number:

MFCD09753528

IUPAC Name:

(2-acetyloxy-2-methylpropyl) 2-[(2-nitrophenyl)methylidene]-3-oxobutanoate

InChI:

InChI=1S/C17H19NO7/c1-11(19)14(9-13-7-5-6-8-15(13)18(22)23)16(21)24-10-17(3,4)25-12(2)20/h5-9H,10H2,1-4H3

InChI Key:

FFIBYMHZCNFTRU-UHFFFAOYSA-N

SMILES:

CC(=O)OC(COC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)C)(C)C

Complexity:

574

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

349.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

349.339g/mol

Monoisotopic Mass:

349.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

116A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2