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114-79-4 | Urea, N-(3,4-dimethylphenyl)-
CAS No: 114-79-4 Catalog No: AG000AA4 MDL No:MFCD00025426
Product Description
Catalog Number:
AG000AA4
Chemical Name:
Urea, N-(3,4-dimethylphenyl)-
CAS Number:
114-79-4
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD00025426
IUPAC Name:
(3,4-dimethylphenyl)urea
InChI:
InChI=1S/C9H12N2O/c1-6-3-4-8(5-7(6)2)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
InChI Key:
GPHGNFGNYRBWAM-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccc(c(c1)C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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