(E)-3-(1,4-Dioxaspiro[4.5]-7-decen-7-yl)acrylic Acid - CAS 226916-19-4
Catalog: |
BB017711 |
Product Name: |
(E)-3-(1,4-Dioxaspiro[4.5]-7-decen-7-yl)acrylic Acid |
CAS: |
226916-19-4 |
Synonyms: |
(E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-2-propenoic acid; (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoic acid |
Description: | (E)-3-(1,4-Dioxaspiro[4.5]-7-decen-7-yl)acrylic Acid (CAS# 226916-19-4 ) is a useful research chemical. |
Molecular Weight: | 210.23 |
Molecular Formula: | C11H14O4 |
Canonical SMILES: | C1CC2(CC(=C1)C=CC(=O)O)OCCO2 |
InChI: | InChI=1S/C11H14O4/c12-10(13)4-3-9-2-1-5-11(8-9)14-6-7-15-11/h2-4H,1,5-8H2,(H,12,13)/b4-3+ |
InChI Key: | FWFDDYZZFODCDR-ONEGZZNKSA-N |
Boiling Point: | 406.7 °C at 760 mmHg |
Density: | 1.25 g/cm3 |
MDL: | MFCD13152280 |
LogP: | 1.48060 |
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 |
US-2008085923-A1 | Thrombin Receptor Antagonists Based On The Modified Tricyclic Unit Of Himbacine | 20061004 |
US-2008009651-A1 | Synthesis of 3-(5-nitrocyclohex-1-enyl) acrylic acid and esters thereof | 20060630 |
US-2009203936-A1 | Synthesis of 3-(5-nitrocyclohex-1-enyl) acrylic acid and esters thereof | 20060630 |
US-7553987-B2 | Synthesis of 3-(5-nitrocyclohex-1-enyl) acrylic acid and esters thereof | 20060630 |
US-7678948-B2 | Synthesis of 3-(5-nitrocyclohex-1-enyl) acrylic acid and esters thereof | 20060630 |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 210.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.08920892 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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