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alpha-Carboxy-o-toluic acid
SpectraBase Compound ID JdlB5BSWM2O
InChI InChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKey ZHQLTKAVLJKSKR-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2hY57TQqDr
Name 2-(Carboxymethyl)benzoic acid
CAS Registry Number 89-51-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKey ZHQLTKAVLJKSKR-UHFFFAOYSA-N
Molecular Weight 180.159 g/mol
SMILES OC(c1c(CC(=O)O)cccc1)=O
SPLASH splash10-014u-9400000000-34217cc1fae624131941
Source of Spectrum W6-12923-0-0
Synonyms (2-Carboxyphenyl)acetic acid (o-carboxymethyl)benzoic acid .alpha.-Carboxy-o-toluic acid 2-Carboxybenzeneacetic acid Benzeneacetic acid, 2-carboxy- Homophthalic acid o-Toluic acid, .alpha.-carboxy- Phenacetic acid, 2-carboxy- Toluene-.alpha.,2-dicarboxylic acid Toluene-alpha,2-dicarboxylic acid BRN 1872069 EINECS 201-913-9 NSC 15185
Wiley ID 88378