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89376-49-8 | 3-Penten-2-one, 4-[[2-[[(2-hydroxyphenyl)methylene]amino]ethyl]amino]-
CAS No: 89376-49-8 Catalog No: AG003WFB MDL No:
Product Description
Catalog Number:
AG003WFB
Chemical Name:
3-Penten-2-one, 4-[[2-[[(2-hydroxyphenyl)methylene]amino]ethyl]amino]-
CAS Number:
89376-49-8
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
IUPAC Name:
4-[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]pent-3-en-2-one
InChI:
InChI=1S/C14H18N2O2/c1-11(9-12(2)17)16-8-7-15-10-13-5-3-4-6-14(13)18/h3-6,9-10,16,18H,7-8H2,1-2H3
InChI Key:
FYRKWYWDYAQSTQ-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)C)NCCN=Cc1ccccc1O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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