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Home > Aldehydes > 330627-49-1
330627-49-1 | BENZALDEHYDE, 4-ACETYL-, 1-OXIME
CAS No: 330627-49-1 Catalog No: AG007HS9 MDL No:
Product Description
Catalog Number:
AG007HS9
Chemical Name:
BENZALDEHYDE, 4-ACETYL-, 1-OXIME
CAS Number:
330627-49-1
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
1-[4-(hydroxyiminomethyl)phenyl]ethanone
InChI:
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:
ON=Cc1ccc(cc1)C(=O)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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