3-(3-Fluorophenoxy)propionic Acid - CAS 133077-42-6
Catalog: |
BB007687 |
Product Name: |
3-(3-Fluorophenoxy)propionic Acid |
CAS: |
133077-42-6 |
Synonyms: |
3-(3-fluorophenoxy)propanoic acid; 3-(3-fluorophenoxy)propanoic acid |
IUPAC Name: | 3-(3-fluorophenoxy)propanoic acid |
Description: | 3-(3-Fluorophenoxy)propionic Acid (CAS# 133077-42-6 ) is a useful research chemical. |
Molecular Weight: | 184.16 |
Molecular Formula: | C9H9FO3 |
Canonical SMILES: | C1=CC(=CC(=C1)F)OCCC(=O)O |
InChI: | InChI=1S/C9H9FO3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H,11,12) |
InChI Key: | TWGIQPNNPXKPLC-UHFFFAOYSA-N |
Boiling Point: | 262.202 °C at 760 mmHg |
Density: | 1.268 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 1.67920 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112079826-A | Steroid synthetase inhibitor and treatment application thereof | 20200917 |
KR-20160052020-A | Process for preparing 3-(3,5-difluorophenoxy)propionic acid | 20141031 |
CN-101497612-A | Novel carbostyrile compound, preparation and use | 20090303 |
EP-2178858-B1 | Novel heterocyclic compounds as mglu5 antagonists | 20070802 |
US-2009042841-A1 | Novel heterocyclic derivatives as m-glu5 antagonists | 20070802 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.05357231 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.05357231 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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