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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Tropic Acid
Tropic synonyms
Hydracrylic acid, 2-phenyl-; 2-phenylhydracrylic acid; alpha-(Hydroxymethyl)benzeneacetic acid; dl-Tropic acid; 2-Phenylhydracrylic acid; Tropate; alpha-(hydroxymethyl)benzeneacetic acid; alpha-Toluic acid, alpha-(hydroxymethyl)-; (1)-(Hydroxymethyl)phenylacetic acid; beta-hydroxyhydratropic acid; alpha-(Hydroxymethyl)phenylacetic acid
Graphical representations:
View large 3D structure
Molecular Formula: C9H10O3
Natural Isotopic Abundance Mass: 166.1739
Mono-Isotopic Molecular Masses:
- C12N14: 166.0629941873
- C13N14: 175.0931877275
- C12N15: 166.0629941873
- C13N15: 175.0931877275
InChI string: InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1
PubChem Compound (CID): 10726CAS Registry number: 529-64-6 552-63-6 28845-94-5
Sigma-Aldrich: T89206_ALDRICH
ChEBI: CHEBI:30765
ChemIDplus: 000552636
ChemSpider: 10274
EINECS: 208-465-3
CambridgeSoft Corporation: 9937
KEGG Compound ID: C01456
NIST Chemistry WebBook: 444981734
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)