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727675-29-8 | [2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole-4,4-diyl]dimethanol
CAS No: 727675-29-8 Catalog No: AG00JHIR MDL No:MFCD05860809
Product Description
Catalog Number:
AG00JHIR
Chemical Name:
[2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole-4,4-diyl]dimethanol
CAS Number:
727675-29-8
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD05860809
IUPAC Name:
[4-(hydroxymethyl)-2-(2-phenylethyl)-5H-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C13H17NO3/c15-8-13(9-16)10-17-12(14-13)7-6-11-4-2-1-3-5-11/h1-5,15-16H,6-10H2
InChI Key:
PNVVXUBQUOVXNS-UHFFFAOYSA-N
SMILES:
OCC1(CO)COC(=N1)CCc1ccccc1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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