5-[4-(Methoxyphenyl)]-1,3-cyclohexanedione - CAS 1774-12-5
Catalog: |
BB013286 |
Product Name: |
5-[4-(Methoxyphenyl)]-1,3-cyclohexanedione |
CAS: |
1774-12-5 |
Synonyms: |
5-(4-methoxyphenyl)cyclohexane-1,3-dione |
IUPAC Name: | 5-(4-methoxyphenyl)cyclohexane-1,3-dione |
Description: | 5-[4-(Methoxyphenyl)]-1,3-cyclohexanedione (CAS# 1774-12-5) is a useful research chemical. |
Molecular Weight: | 218.25 |
Molecular Formula: | C13H14O3 |
Canonical SMILES: | COC1=CC=C(C=C1)C2CC(=O)CC(=O)C2 |
InChI: | InChI=1S/C13H14O3/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h2-5,10H,6-8H2,1H3 |
InChI Key: | AHYCBDWPHFFKFK-UHFFFAOYSA-N |
Boiling Point: | 394.4 ℃ at 760 mmHg |
Melting Point: | 179.5-183.5 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.163 g/cm3 |
Appearance: | White to yellow crystal to powder |
MDL: | MFCD00104791 |
LogP: | 2.10090 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021205324-A1 | Curable compositions and methods of using the same | 20200408 |
KR-20200102022-A | Tetrahydroquinazoline derivatives and pharmaceutical composition for preventing or treating psoriasis comprising the same | 20190220 |
US-2020123127-A1 | Removal of senescence-associated macrophages | 20160425 |
WO-2017189553-A1 | Removal of senescence-associated macrophages | 20160425 |
UA-110005-C2 | Process for the preparation of 5-[4-(hydroxy)phenyl]-1,3-cyclohexanedione | 20141022 |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.094294304 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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