3-Methyl-1-indanone - CAS 6072-57-7
Catalog: |
BB030783 |
Product Name: |
3-Methyl-1-indanone |
CAS: |
6072-57-7 |
Synonyms: |
3-methyl-2,3-dihydroinden-1-one |
IUPAC Name: | 3-methyl-2,3-dihydroinden-1-one |
Description: | 3-Methyl-1-indanone (CAS# 6072-57-7) is a useful research chemical. |
Molecular Weight: | 146.19 |
Molecular Formula: | C10H10O |
Canonical SMILES: | CC1CC(=O)C2=CC=CC=C12 |
InChI: | InChI=1S/C10H10O/c1-7-6-10(11)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3 |
InChI Key: | XVTQSYKCADSUHN-UHFFFAOYSA-N |
Boiling Point: | 226.7 °C at 760 mmHg |
Density: | 1.075 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00156725 |
LogP: | 2.37650 |
GHS Hazard Statement: | H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
16383317 | 20060101 | Theory and use of the pseudophase model in gas-liquid chromatographic enantiomeric separations | Analytical chemistry |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.073164938 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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