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306935-77-3 | 2-Butenoic acid, 4-[(2,6-diethylphenyl)amino]-4-oxo-
CAS No: 306935-77-3 Catalog No: AG0030WF MDL No:
Product Description
Catalog Number:
AG0030WF
Chemical Name:
2-Butenoic acid, 4-[(2,6-diethylphenyl)amino]-4-oxo-
CAS Number:
306935-77-3
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
(E)-4-(2,6-diethylanilino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C14H17NO3/c1-3-10-6-5-7-11(4-2)14(10)15-12(16)8-9-13(17)18/h5-9H,3-4H2,1-2H3,(H,15,16)(H,17,18)/b9-8+
InChI Key:
HPUZNWHASPOJPF-CMDGGOBGSA-N
SMILES:
CCc1cccc(c1NC(=O)C=CC(=O)O)CC
NSC Number:
201789
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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