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CAS Number: 25062-54-8
5-phosphonoisophthalic acid

Structure

5-phosphonoisophthalic acid
Name: 5-phosphonoisophthalic acid
Synonyms:
General Information
Product Number: 25062548

CAS Registry Number 25062-54-8
Name:
1,​3-​Benzenedicarboxylic acid, 5-​phosphono-
Isophthalic acid, 5-phosphono- (8CI)
3,5-Dicarboxyphenylphosphonic acid
5-Phosphono-1,3-benzenedicarboxylic acid

 

Chemical Formula: C8H7O7P
Exact Mass: 245.99
Molecular Weight: 246.11
m/z: 245.99 (100.0%), 247.00 (9.0%), 248.00 (1.8%)

 

InChI:InChI=1S/C8H7O7P/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H2,13,14,15)

InChI Key:INJNMXHKFWFNLW-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C=C1C(=O)O)P(=O)(O)O)C(=O)O

Specification

98%

References
  1. (1) Liao, Teng-Biao; Chemical Communications (Cambridge, United Kingdom) 2010, V46(7), P1100-1102 CAPLUS
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