trans-2,5-Dimethoxycinnamamide - CAS 849061-96-7
Catalog: |
BB037360 |
Product Name: |
trans-2,5-Dimethoxycinnamamide |
CAS: |
849061-96-7 |
Synonyms: |
(E)-3-(2,5-dimethoxyphenyl)prop-2-enamide |
IUPAC Name: | (E)-3-(2,5-dimethoxyphenyl)prop-2-enamide |
Description: | trans-2,5-Dimethoxycinnamamide (CAS# 849061-96-7 ) is a useful research chemical. |
Molecular Weight: | 207.23 |
Molecular Formula: | C11H13NO3 |
Canonical SMILES: | COC1=CC(=C(C=C1)OC)C=CC(=O)N |
InChI: | InChI=1S/C11H13NO3/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h3-7H,1-2H3,(H2,12,13)/b6-3+ |
InChI Key: | LNVZPQDKKCSROU-ZZXKWVIFSA-N |
Boiling Point: | 432.1 °C at 760 mmHg |
Density: | 1.156 g/cm3 |
MDL: | MFCD07369788 |
LogP: | 1.90260 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 207.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.08954328 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 61.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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