3-Hydroxy-3-(methoxycarbonyl)pentanedioic acid

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Systematic / IUPAC Name: 3-Hydroxy-3-(methoxycarbonyl)pentanedioic acid

ID: Reference7543

Other Names: 2-Hydroxy-1,2,3-propanetricarboxylic acid 2-methyl ester;
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 2-methyl ester

Formula: C7H10O7

Spectral Data

3-Hydroxy-3-(methoxycarbonyl)pentanedioic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 377
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/14/2018 1:38:22 PM
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Identificators

InChI InChI=1S/C7H10O7/c1-14-6(12)7(13,2-4(8)9)3-5(10)11/h13H,2-3H2,1H3,(H,8,9)(H,10,11)
InChI Key HCVBQXINVUFVCE-UHFFFAOYSA-N
Canonical SMILES COC(=O)C(CC(=O)O)(CC(=O)O)O
CAS
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Other Names 2-Hydroxy-1,2,3-propanetricarboxylic acid 2-methyl ester;
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 2-methyl ester

In Other Databases

ChemSpider 10466788
ChEMBL CHEMBL235362
PubChem 12566215