1,3-Cyclohexanedione, 5-(3-methoxyphenyl)-, hydrate (1:1)

CAS Registry Number®

1255717-24-8
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CAS Name

1,3-Cyclohexanedione, 5-(3-methoxyphenyl)-, hydrate (1:1)

Molecular Formula

C13H14O3.H2O

Cite this Page

1,3-Cyclohexanedione, 5-(3-methoxyphenyl)-, hydrate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1255717-24-8 (retrieved 2024-08-18) (CAS RN: 1255717-24-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H14O3.H2O/c1-16-13-4-2-3-9(7-13)10-5-11(14)8-12(15)6-10;/h2-4,7,10H,5-6,8H2,1H3;1H2

InChIKey

InChIKey=VZKCVPJBIRYSNF-UHFFFAOYSA-N

SMILES

O(C)C=1C=C(C=CC1)C2CC(=O)CC(=O)C2.O

Canonical SMILES

O=C1CC(=O)CC(C=2C=CC=C(OC)C2)C1.O

Other Names for this Substance

  • 1,3-Cyclohexanedione, 5-(3-methoxyphenyl)-, hydrate (1:1)