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(4-Methoxyphenyl) urea

CAT: 0926-FM61349Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FM61349Size:100 mg
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CAS Number
1566-42-3
MDL Number
MFCD00014789
Smiles
COC1=CC=C (C=C1) NC (=O) N
Molecular Formula
C8H10N2O2
Molecular Weight
166.18 g/mol
Controlled
No

Chemical Information

p-Methoxyphenylurea
CAS Number1566-42-3
PubChem CID74066
IUPAC Name(4-methoxyphenyl)urea
Molecular FormulaC8H10N2O2
Molecular Weight166.18
XLogP0.5
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity153
SMILES
COC1=CC=C(C=C1)NC(=O)N
InChI
InChI=1S/C8H10N2O2/c1-12-7-4-2-6(3-5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKey
PGUKYDVWVXRPKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Methoxyphenylurea
CAS: 1566-42-3
CID: 74066
Formula: C8H10N2O2
MW: 166.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight166.18
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass166.074227566
Monoisotopic Mass166.074227566
Topological Polar Surface Area64.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity153
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes