trans-2-Nitrocinnamaldehyde - CAS 66894-06-2
Catalog: |
BB033122 |
Product Name: |
trans-2-Nitrocinnamaldehyde |
CAS: |
66894-06-2 |
Synonyms: |
3-(2-nitrophenyl)prop-2-enal |
IUPAC Name: | (E)-3-(2-nitrophenyl)prop-2-enal |
Description: | trans-2-Nitrocinnamaldehyde (CAS# 66894-06-2 ) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | C1=CC=C(C(=C1)C=CC=O)[N+](=O)[O-] |
InChI: | InChI=1S/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-7H |
InChI Key: | VMSMELHEXDVEDE-UHFFFAOYSA-N |
MDL: | MFCD00007188 |
LogP: | 2.33010 |
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-111840261-A | Deacetylase agonist and application thereof | 20200622 |
WO-2021058251-A1 | Corrosion inhibitors for acidic subterranean treatment fluids | 20190923 |
US-2021032759-A1 | Corrosion inhibitor composition and methods of inhibiting corrosion during acid pickling | 20190730 |
DE-102019210983-A1 | Increasing the stability of agents for treating keratin material | 20190724 |
WO-2021013420-A1 | Increasing the stability of agents for treating keratin material | 20190724 |
PMID | Publication Date | Title | Journal |
17919000 | 20071026 | Organocatalytic asymmetric robinson annulation of alpha,beta-unsaturated aldehydes: applications to the total synthesis of (+)-palitantin | The Journal of organic chemistry |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 177.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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