3-Chloro-4-methoxycinnamic acid - CAS 58236-76-3
Catalog: |
BB029983 |
Product Name: |
3-Chloro-4-methoxycinnamic acid |
CAS: |
58236-76-3 |
Synonyms: |
(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(3-chloro-4-methoxyphenyl)prop-2-enoic acid |
Description: | 3-Chloro-4-methoxycinnamic acid (CAS# 58236-76-3) is a useful research chemical. |
Molecular Weight: | 212.63 |
Molecular Formula: | C10H9ClO3 |
Canonical SMILES: | COC1=C(C=C(C=C1)C=CC(=O)O)Cl |
InChI: | InChI=1S/C10H9ClO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3+ |
InChI Key: | FFQJKQJQLDOHDW-HWKANZROSA-N |
Boiling Point: | 378.6 ℃ at 760 mmHg |
Density: | 1.32 g/cm3 |
MDL: | MFCD05739914 |
LogP: | 2.44640 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-0007993-A1 | Substituted isoquinoleines and their use as anticonvulsivants | 19980805 |
EP-0996621-A1 | Novel compounds | 19970722 |
EP-0996621-B1 | TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS | 19970722 |
HU-0004333-A2 | New triazolo [4,5-d] pyrimidine derivatives, process for their preparation and pharmaceutical compositions containing them | 19970722 |
US-6251910-B1 | 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists | 19970722 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 212.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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