4-Nitrocinnamyl alcohol - CAS 1504-63-8
Catalog: |
BB010544 |
Product Name: |
4-Nitrocinnamyl alcohol |
CAS: |
1504-63-8 |
Synonyms: |
(E)-3-(4-nitrophenyl)prop-2-en-1-ol |
IUPAC Name: | (E)-3-(4-nitrophenyl)prop-2-en-1-ol |
Description: | 4-Nitrocinnamyl alcohol (CAS# 1504-63-8) is a compound useful in organic synthesis. |
Molecular Weight: | 179.17 |
Molecular Formula: | C9H9NO3 |
Canonical SMILES: | C1=CC(=CC=C1C=CCO)[N+](=O)[O-] |
InChI: | InChI=1S/C9H9NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6,11H,7H2/b2-1+ |
InChI Key: | LGXXEDSIJZHDBN-OWOJBTEDSA-N |
Boiling Point: | 325.3 °C at 760 mmHg |
Density: | 1.282 g/cm3 |
MDL: | MFCD00017045 |
LogP: | 2.12350 |
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-112851464-A | Preparation method of fluoro compound | 20210127 |
CN-112851559-A | FtsZ and QseC double-target antibacterial molecule and preparation method and application thereof | 20210123 |
CN-112047842-A | 1, 4-diene compound and preparation method and application thereof | 20200914 |
CN-113004165-A | Preparation method of chloramphenicol impurity compound I | 20191219 |
CN-110935488-A | Preparation method of catalyst for simply and effectively catalyzing asymmetric epoxidation of allyl alcohol | 20191113 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 179.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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