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4-Hydroxy-1,3-benzodioxole-5-carboxylic acid
SpectraBase Compound ID 81450RdElaN
InChI InChI=1S/C8H6O5/c9-6-4(8(10)11)1-2-5-7(6)13-3-12-5/h1-2,9H,3H2,(H,10,11)
InChIKey SBMAXSKHTYXTKD-UHFFFAOYSA-N
Mol Weight 182.13 g/mol
Molecular Formula C8H6O5
Exact Mass 182.021523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44LF4qEkGsM
Name 4-Hydroxy-1,3-benzodioxole-5-carboxylic acid
CAS Registry Number 4776-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6O5
InChI InChI=1S/C8H6O5/c9-6-4(8(10)11)1-2-5-7(6)13-3-12-5/h1-2,9H,3H2,(H,10,11)
InChIKey SBMAXSKHTYXTKD-UHFFFAOYSA-N
Molecular Weight 182.131 g/mol
SMILES OC(c1ccc2c(c1O)OCO2)=O
SPLASH splash10-03di-2900000000-62ad59354c63f4d07b27
Source of Spectrum NP-3-751-0
Synonyms 2-Hydroxy-3,4-methylenedioxybenzoic acid 4-Oxidanyl-1,3-benzodioxole-5-carboxylic acid
Wiley ID 1102130