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Reference substances

Reference substances

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General information

Inventory

EC number:
210-568-3
EC name:
5-nitroisophthalic acid
CAS number:
618-88-2

No inventory information available

Reference substance information

IUPAC name:
5-nitroisophthalic acid
Synonyms
Names:
1,3-Benzenedicarboxylic acid, 5-nitro-

CAS information

CAS number:
618-88-2

Molecular and structural information

Molecular formula:
C8H5NO6
Molecular weight:
211.128
SMILES notation:
OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O
InChl:
InChI=1/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
Structural formula:
Chemical structure