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16849-91-5 | Urea, N-[(1R)-1-phenylethyl]-
CAS No: 16849-91-5 Catalog No: AG001Y3D MDL No:MFCD00066330
Product Description
Catalog Number:
AG001Y3D
Chemical Name:
Urea, N-[(1R)-1-phenylethyl]-
CAS Number:
16849-91-5
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD00066330
IUPAC Name:
[(1R)-1-phenylethyl]urea
InChI:
InChI=1S/C9H12N2O/c1-7(11-9(10)12)8-5-3-2-4-6-8/h2-7H,1H3,(H3,10,11,12)/t7-/m1/s1
InChI Key:
ALVBVEKNACPPAB-SSDOTTSWSA-N
SMILES:
C[C@H](c1ccccc1)NC(=O)N
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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