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89729-72-6 | Urea, N'-[4-(1,3-dioxan-5-yl)-3-methylphenyl]-N,N-dimethyl-
CAS No: 89729-72-6 Catalog No: AG0041ZM MDL No:
Product Description
Catalog Number:
AG0041ZM
Chemical Name:
Urea, N'-[4-(1,3-dioxan-5-yl)-3-methylphenyl]-N,N-dimethyl-
CAS Number:
89729-72-6
Molecular Formula:
C14H20N2O3
Molecular Weight:
264.3202
IUPAC Name:
3-[4-(1,3-dioxan-5-yl)-3-methylphenyl]-1,1-dimethylurea
InChI:
InChI=1S/C14H20N2O3/c1-10-6-12(15-14(17)16(2)3)4-5-13(10)11-7-18-9-19-8-11/h4-6,11H,7-9H2,1-3H3,(H,15,17)
InChI Key:
NTSAXDPVQDOJDQ-UHFFFAOYSA-N
SMILES:
CN(C(=O)Nc1ccc(c(c1)C)C1COCOC1)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.325g/mol
Monoisotopic Mass:
264.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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