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175203-56-2 | Benzaldehyde, 4-(2-phenylethynyl)-, oxime
CAS No: 175203-56-2 Catalog No: AG0020KC MDL No:
Product Description
Catalog Number:
AG0020KC
Chemical Name:
Benzaldehyde, 4-(2-phenylethynyl)-, oxime
CAS Number:
175203-56-2
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
IUPAC Name:
N-[[4-(2-phenylethynyl)phenyl]methylidene]hydroxylamine
InChI:
InChI=1S/C15H11NO/c17-16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-12,17H
InChI Key:
KXYAPNJEVXAHOP-UHFFFAOYSA-N
SMILES:
ON=Cc1ccc(cc1)C#Cc1ccccc1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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