5-Methoxy-1-indanone - CAS 5111-70-6
Catalog: |
BB027335 |
Product Name: |
5-Methoxy-1-indanone |
CAS: |
5111-70-6 |
Synonyms: |
5-methoxy-2,3-dihydroinden-1-one |
IUPAC Name: | 5-methoxy-2,3-dihydroinden-1-one |
Description: | 5-Methoxy-1-indanone (CAS# 5111-70-6) is a useful research chemical. |
Molecular Weight: | 162.19 |
Molecular Formula: | C10H10O2 |
Canonical SMILES: | COC1=CC2=C(C=C1)C(=O)CC2 |
InChI: | InChI=1S/C10H10O2/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h3-4,6H,2,5H2,1H3 |
InChI Key: | QOPRWBRNMPANKN-UHFFFAOYSA-N |
Boiling Point: | 150 ℃ / 2 mmHg |
Melting Point: | 107-111 ℃ |
Purity: | 95 % |
Density: | 1.166 g/cm3 |
Appearance: | Light green-brown solid. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00003789 |
LogP: | 1.82410 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112574078-A | 2-sulfuryl-2, 3-dihydro-1-indanone and derivatives and synthesis method thereof | 20201214 |
CN-111303930-A | Method for hydrosilylation reaction of carbonyl compound in biological oil | 20200208 |
WO-2021106230-A1 | Novel phenol compound or salt thereof | 20191129 |
WO-2021097139-A1 | Chiral synthesis of a tertiary alcohol | 20191115 |
WO-2020205455-A1 | Peripheral alkyl and alkenyl chains extended benzene derivatives and pharmaceutical composition including the same | 20190329 |
PMID | Publication Date | Title | Journal |
18830129 | 20090101 | Coenzyme Q0 induces apoptosis and modulates the cell cycle in estrogen receptor negative breast cancer cells | Anti-cancer drugs |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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