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88971-88-4 | Urea, N,N-dimethyl-N'-[4-(1-methyl-2-oxo-2-phenylethoxy)phenyl]-
CAS No: 88971-88-4 Catalog No: AG0045C0 MDL No:
Product Description
Catalog Number:
AG0045C0
Chemical Name:
Urea, N,N-dimethyl-N'-[4-(1-methyl-2-oxo-2-phenylethoxy)phenyl]-
CAS Number:
88971-88-4
Molecular Formula:
C18H20N2O3
Molecular Weight:
312.3630
IUPAC Name:
1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea
InChI:
InChI=1S/C18H20N2O3/c1-13(17(21)14-7-5-4-6-8-14)23-16-11-9-15(10-12-16)19-18(22)20(2)3/h4-13H,1-3H3,(H,19,22)
InChI Key:
SSBKNHWSHMGIRO-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1ccccc1)Oc1ccc(cc1)NC(=O)N(C)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.369g/mol
Monoisotopic Mass:
312.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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