4,5-Dimethoxy-2-nitrocinnamic acid - CAS 20567-38-8
Catalog: |
BB016066 |
Product Name: |
4,5-Dimethoxy-2-nitrocinnamic acid |
CAS: |
20567-38-8 |
Synonyms: |
(E)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoic acid |
Description: | 4,5-Dimethoxy-2-nitrocinnamic acid (CAS# 20567-38-8) is a useful research chemical. |
Molecular Weight: | 253.21 |
Molecular Formula: | C11H11NO6 |
Canonical SMILES: | COC1=C(C=C(C(=C1)C=CC(=O)O)[N+](=O)[O-])OC |
InChI: | InChI=1S/C11H11NO6/c1-17-9-5-7(3-4-11(13)14)8(12(15)16)6-10(9)18-2/h3-6H,1-2H3,(H,13,14)/b4-3+ |
InChI Key: | BZIRMMAJZSOLEW-ONEGZZNKSA-N |
Boiling Point: | 482.9 °C at 760 mmHg |
Melting Point: | 293 °C (dec.)(lit.) |
Purity: | 95 % |
Density: | 1.369 g/cm3 |
Appearance: | Yellow to green powder |
MDL: | MFCD00017017 |
LogP: | 2.23300 |
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 |
CN-113416199-A | Lycorine beta-aryl acrylate derivative and preparation method and application thereof | 20210720 |
CN-110563602-A | rosmarinic acid derivatives, and preparation method and application thereof | 20181226 |
EP-2226116-A2 | Drying substances, preparation and use thereof | 20090303 |
EP-2226116-B1 | Drying tube, preparation and use thereof | 20090303 |
EP-2226192-A1 | Drying substances, preparation and use thereof | 20090303 |
Complexity: | 337 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 253.05863707 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.05863707 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 102 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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