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114113-12-1 | 3-Buten-2-one, 4-hydroxy-4-[(4-methylphenyl)amino]-
CAS No: 114113-12-1 Catalog No: AG000ALJ MDL No:
Product Description
Catalog Number:
AG000ALJ
Chemical Name:
3-Buten-2-one, 4-hydroxy-4-[(4-methylphenyl)amino]-
CAS Number:
114113-12-1
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
3-hydroxy-N-(4-methylphenyl)but-2-enamide
InChI:
InChI=1S/C11H13NO2/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13/h3-7,13H,1-2H3,(H,12,14)
InChI Key:
OBZCFUQAYCVXCZ-UHFFFAOYSA-N
SMILES:
OC(=CC(=O)C)Nc1ccc(cc1)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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