2,3-Dimethyl-5-nitrobenzoic acid

HCID 13758131
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Basic information

Standard SMILES
Cc1cc([N+](=O)[O-])cc(C(=O)O)c1C
InChIKey
LAUMVOSQJSQRJG-UHFFFAOYSA-N
Molecular formula
C9H9NO4
Average molar mass
195.17 g/mol

Names & identifiers

Preferred name
2,3-Dimethyl-5-nitrobenzoic acid
IUPAC
2,3-dimethyl-5-nitrobenzoic acid

Names & synonyms

2,3-dimethyl-5-nitrobenzoic acid110969-50-1SCHEMBL89086SCHEMBL30406917LAUMVOSQJSQRJG-UHFFFAOYSA-N2,3-dimethyl-5-nitro-benzoic acidDB-337869EN300-144998F85678

Database identifiers

PubChem CID
13758131

Properties

Computed structural properties

XLogP
2
Topological polar surface area
83.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

Related reactions

4 records
New reaction record

Linked notes

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