3-Acetamidobenzaldehyde - CAS 59755-25-8
Catalog: |
BB030488 |
Product Name: |
3-Acetamidobenzaldehyde |
CAS: |
59755-25-8 |
Synonyms: |
N-(3-formylphenyl)acetamide; N-(3-formylphenyl)acetamide |
IUPAC Name: | N-(3-formylphenyl)acetamide |
Description: | 3-Acetamidobenzaldehyde (CAS# 59755-25-8) is a useful research chemical. |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | CC(=O)NC1=CC=CC(=C1)C=O |
InChI: | InChI=1S/C9H9NO2/c1-7(12)10-9-4-2-3-8(5-9)6-11/h2-6H,1H3,(H,10,12) |
InChI Key: | KBKWZUVMKBNTFP-UHFFFAOYSA-N |
Boiling Point: | 370.7 °C at 760 mmHg |
Density: | 1.216 g/cm3 |
LogP: | 1.53050 |
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 |
EP-3586876-A1 | Glucose-sensitive peptide hormones | 20180621 |
WO-2019243576-A1 | Glucose-sensitive peptide hormones | 20180621 |
EP-3556755-A1 | Substituted aminothiazoles as inhibitors of nucleases | 20180417 |
WO-2019201865-A1 | Substituted aminothiazoles as inhibitors of nucleases | 20180417 |
AU-2019256670-A1 | Substituted aminothiazoles as inhibitors of nucleases | 20180417 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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