Cas no 330627-49-1 (Benzaldehyde, 4-acetyl-, 1-oxime (9CI))
330627-49-1 structure
Product Name:Benzaldehyde, 4-acetyl-, 1-oxime (9CI)
CAS No:330627-49-1
MF:C9H9NO2
MW:163.173262357712
CID:917553
PubChem ID:57348897
Update Time:2025-04-19
Benzaldehyde, 4-acetyl-, 1-oxime (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 4-acetyl-, 1-oxime (9CI)
- 1-[4-(hydroxyiminomethyl)phenyl]ethanone
- 1-{4-[(Hydroxyimino)methyl]phenyl}ethan-1-one
- 330627-49-1
- DTXSID90721732
-
- Inchi： 1S/C9H9NO2/c1-7(11)9-4-2-8(3-5-9)6-10-12/h2-6,12H,1H3
- InChI Key： ICOIHRTTWJPFMQ-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=CC(C=NO)=CC=1
Computed Properties
- Exact Mass: 163.06337
- Monoisotopic Mass: 163.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.7
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.66
Benzaldehyde, 4-acetyl-, 1-oxime (9CI) Related Literature
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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