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25017-36-1 | Urea, N-[(3,5-dimethylphenyl)methyl]-
CAS No: 25017-36-1 Catalog No: AG002Q77 MDL No:
Product Description
Catalog Number:
AG002Q77
Chemical Name:
Urea, N-[(3,5-dimethylphenyl)methyl]-
CAS Number:
25017-36-1
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
IUPAC Name:
(3,5-dimethylphenyl)methylurea
InChI:
InChI=1S/C10H14N2O/c1-7-3-8(2)5-9(4-7)6-12-10(11)13/h3-5H,6H2,1-2H3,(H3,11,12,13)
InChI Key:
SHTCSERBLXIPEX-UHFFFAOYSA-N
SMILES:
NC(=O)NCc1cc(C)cc(c1)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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