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1823-76-3 | Benzeneacetaldehyde, 4-methoxy-α-oxo-, 1-oxime
CAS No: 1823-76-3 Catalog No: AG0023LD MDL No:
Product Description
Catalog Number:
AG0023LD
Chemical Name:
Benzeneacetaldehyde, 4-methoxy-α-oxo-, 1-oxime
CAS Number:
1823-76-3
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
2-hydroxyimino-1-(4-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H9NO3/c1-13-8-4-2-7(3-5-8)9(11)6-10-12/h2-6,12H,1H3
InChI Key:
LANIGOHQUOHJPR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C=NO
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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