2-Furancarboxylic acid, 5-(3-hydroxy-3-methyl-1-butyn-1-yl)-, hydrate (1:1)

CAS Registry Number®

1609400-90-9
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CAS Name

2-Furancarboxylic acid, 5-(3-hydroxy-3-methyl-1-butyn-1-yl)-, hydrate (1:1)

Molecular Formula

C10H10O4.H2O

Cite this Page

2-Furancarboxylic acid, 5-(3-hydroxy-3-methyl-1-butyn-1-yl)-, hydrate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1609400-90-9 (retrieved 2024-07-02) (CAS RN: 1609400-90-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H10O4.H2O/c1-10(2,13)6-5-7-3-4-8(14-7)9(11)12;/h3-4,13H,1-2H3,(H,11,12);1H2

InChIKey

InChIKey=XSDJYYNFWWYIIX-UHFFFAOYSA-N

SMILES

C(#CC(C)(C)O)C=1OC(C(O)=O)=CC1.O

Canonical SMILES

O=C(O)C=1OC(C#CC(O)(C)C)=CC1.O

Other Names for this Substance

  • 2-Furancarboxylic acid, 5-(3-hydroxy-3-methyl-1-butyn-1-yl)-, hydrate (1:1)