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25017-52-1 | Urea, N-(2-hydroxy-2-phenylethyl)-
CAS No: 25017-52-1 Catalog No: AG002Q74 MDL No:MFCD01676003
Product Description
Catalog Number:
AG002Q74
Chemical Name:
Urea, N-(2-hydroxy-2-phenylethyl)-
CAS Number:
25017-52-1
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD01676003
IUPAC Name:
(2-hydroxy-2-phenylethyl)urea
InChI:
InChI=1S/C9H12N2O2/c10-9(13)11-6-8(12)7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H3,10,11,13)
InChI Key:
FLUILQHBSBEUEE-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)CNC(=O)N
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. | Journal of medicinal chemistry 20160324 |
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