5-Methyl-2,4-dinitrobenzoic acid

HCID 3671900
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Basic information

Standard SMILES
Cc1cc(C(=O)O)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
SESSPRSOEAVOMC-UHFFFAOYSA-N
Molecular formula
C8H6N2O6
Average molar mass
226.14 g/mol

Names & identifiers

Preferred name
5-Methyl-2,4-dinitrobenzoic acid
IUPAC
5-methyl-2,4-dinitrobenzoic acid

Names & synonyms

5-methyl-2,4-dinitrobenzoic acid1723-15-5SCHEMBL3956965-methyl-2,4-dinitrobenzoicacidSESSPRSOEAVOMC-UHFFFAOYSA-N5-methyl-2,4-dinitro-benzoic acidMFCD00823341STK672237AKOS001702904SY479727DB-306774ST4023466
Show more names
C91639SR-01000089955SR-01000089955-1

Database identifiers

PubChem CID
3671900

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
129 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
16

Related reactions

19 records
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Linked notes

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