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.H2OCite 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 ) (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)