Benzoic acid, 4-(hydroxymethyl)-3-nitro-, 2-propenyl ester

HCID 11118069
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
171762-24-6
Standard SMILES
C=CCOC(=O)c1ccc(CO)c([N+](=O)[O-])c1
InChIKey
MYKYJZKEODVSSR-UHFFFAOYSA-N
Molecular formula
C11H11NO5
Average molar mass
237.21 g/mol
Monoisotopic mass
237.06372245

Names & identifiers

Preferred name
Benzoic acid, 4-(hydroxymethyl)-3-nitro-, 2-propenyl ester
IUPAC
prop-2-enyl 4-(hydroxymethyl)-3-nitrobenzoate

Names & synonyms

171762-24-6Benzoic acid, 4-(hydroxymethyl)-3-nitro-, 2-propenyl esterSCHEMBL6886031DTXSID90455863MYKYJZKEODVSSR-UHFFFAOYSA-NAllyl4-(Hydroxymethyl)-3-NitrobenzoateAllyl 4-(Hydroxymethyl)-3-NitrobenzoatePROP-2-EN-1-YL 4-(HYDROXYMETHYL)-3-NITROBENZOATE

Database identifiers

CAS
171762-24-6
PubChem CID
11118069
DTXSID
DTXSID90455863

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
92.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
17

Related reactions

5 records
New reaction record

Compound notes

Loading…