Mono-4-nitrobenzyl Malonate
Properties
- Molecular formula
- C10H9NO6
- Molar mass
- 239.18 g/mol
- Exact mass
- 239.0430 Da
- logP
- 1.11Crippen estimate
- Polar surface area
- 106.7 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 5
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
77359-11-6SMILES
C1=CC(=CC=C1COC(=O)CC(=O)O)[N+](=O)[O-]InChIKey
RIGFMUNSTCPGNP-UHFFFAOYSA-NInChI
InChI=1S/C10H9NO6/c12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16/h1-4H,5-6H2,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-Nitrobenzyl hydrogen malonate
Work with Mono-4-nitrobenzyl Malonate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(4-Nitrophenyl)methyl 3-oxobutanoate61312-84-368 % similar
(4-Nitrophenyl)acetic acid104-03-061 % similar
1-(Phenylmethyl) propanedioate40204-26-061 % similar
3-(4-Nitrophenyl)propionic acid16642-79-860 % similar
(4-Nitrophenoxy)acetic acid1798-11-457 % similar
4-Nitrobenzyl chloroformate4457-32-357 % similar
4-Nitrobenzenebutanoic acid5600-62-457 % similar
p-Nitrobenzylacetate619-90-957 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds