Ethyl 2,3-Dihydroindene-1-acetate - CAS 22339-45-3
Catalog: |
BB017530 |
Product Name: |
Ethyl 2,3-Dihydroindene-1-acetate |
CAS: |
22339-45-3 |
Synonyms: |
2-(2,3-dihydro-1H-inden-1-yl)acetic acid ethyl ester; ethyl 2-(2,3-dihydro-1H-inden-1-yl)acetate |
IUPAC Name: | ethyl 2-(2,3-dihydro-1H-inden-1-yl)acetate |
Description: | Ethyl 2,3-Dihydroindene-1-acetate (CAS# 22339-45-3) is a useful research chemical. |
Molecular Weight: | 204.26 |
Molecular Formula: | C13H16O2 |
Canonical SMILES: | CCOC(=O)CC1CCC2=CC=CC=C12 |
InChI: | InChI=1S/C13H16O2/c1-2-15-13(14)9-11-8-7-10-5-3-4-6-12(10)11/h3-6,11H,2,7-9H2,1H3 |
InChI Key: | GYOFMIPAKYRMQS-UHFFFAOYSA-N |
LogP: | 2.66960 |
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-2018223819-A1 | Indoleacetic acid derivative and preparation method and pharmaceutical use thereof | 20170607 |
US-2019330148-A1 | Plant growth regulator compounds | 20160913 |
WO-2018050477-A1 | Plant growth regulator compounds | 20160913 |
US-2019194163-A1 | DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS | 20160804 |
WO-2018026371-A1 | Dual nav1.2/5ht2a inhibitors for treating cns disorders | 20160804 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.115029749 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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