α-Isonitrosopropiophenone - CAS 119-51-7
Catalog: |
BB004517 |
Product Name: |
α-Isonitrosopropiophenone |
CAS: |
119-51-7 |
Synonyms: |
(2E)-2-hydroxyimino-1-phenylpropan-1-one |
IUPAC Name: | (2E)-2-hydroxyimino-1-phenylpropan-1-one |
Description: | α-Isonitrosopropiophenone (CAS# 119-51-7) is a useful research chemical. |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | CC(=NO)C(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C9H9NO2/c1-7(10-12)9(11)8-5-3-2-4-6-8/h2-6,12H,1H3/b10-7+ |
InChI Key: | YPINLRNGSGGJJT-JXMROGBWSA-N |
Boiling Point: | 292.5 °C at 760 mmHg |
Melting Point: | 113-115 °C |
Purity: | > 98.0 % (GC) |
Density: | 1.1 g/cm3 |
Appearance: | White to tan powder |
MDL: | MFCD00002115 |
LogP: | 1.71940 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2844652-C | Pde10 modulators | 20110906 |
EP-2753604-B1 | Pde10 modulators | 20110906 |
JP-2014525467-A | PDE10 modulator | 20110906 |
JP-5973576-B2 | PDE10 modulator | 20110906 |
KR-101611106-B1 | Pde10 modulators | 20110906 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 163.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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