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141579-40-0 | Urea, N-hydroxy-N-[1-methyl-3-(4-methylphenyl)-2-propyn-1-yl]-
CAS No: 141579-40-0 Catalog No: AG001GM9 MDL No:
Product Description
Catalog Number:
AG001GM9
Chemical Name:
Urea, N-hydroxy-N-[1-methyl-3-(4-methylphenyl)-2-propyn-1-yl]-
CAS Number:
141579-40-0
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
1-hydroxy-1-[4-(4-methylphenyl)but-3-yn-2-yl]urea
InChI:
InChI=1S/C12H14N2O2/c1-9-3-6-11(7-4-9)8-5-10(2)14(16)12(13)15/h3-4,6-7,10,16H,1-2H3,(H2,13,15)
InChI Key:
FDKJJOKNKSKBRY-UHFFFAOYSA-N
SMILES:
CC(N(C(=O)N)O)C#Cc1ccc(cc1)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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