2-(Indan-5-yloxy)-propionic acid - CAS 91496-98-9
Catalog: |
BB046992 |
Product Name: |
2-(Indan-5-yloxy)-propionic acid |
CAS: |
91496-98-9 |
Synonyms: |
2-indan-5-yloxypropanoic acid; 2-((2,3-Dihydro-1H-inden-5-yl)oxy)propanoic acid |
IUPAC Name: | 2-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid |
Description: | 2-(Indan-5-yloxy)-propionic acid (CAS# 91496-98-9 ) is a useful research chemical. |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | CC(C(=O)O)OC1=CC2=C(CCC2)C=C1 |
InChI: | InChI=1S/C12H14O3/c1-8(12(13)14)15-11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,13,14) |
InChI Key: | ZJLIHMQROANPCJ-UHFFFAOYSA-N |
Boiling Point: | 362.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.209 g/cm3 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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