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55435-56-8 | {2-[(E)-2-phenylvinyl]-4,5-dihydro-1,3-oxazole-4,4-diyl}dimethanol
CAS No: 55435-56-8 Catalog No: AG00JHIS MDL No:MFCD05860810
Product Description
Catalog Number:
AG00JHIS
Chemical Name:
{2-[(E)-2-phenylvinyl]-4,5-dihydro-1,3-oxazole-4,4-diyl}dimethanol
CAS Number:
55435-56-8
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD05860810
IUPAC Name:
[4-(hydroxymethyl)-2-[(E)-2-phenylethenyl]-5H-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C13H15NO3/c15-8-13(9-16)10-17-12(14-13)7-6-11-4-2-1-3-5-11/h1-7,15-16H,8-10H2/b7-6+
InChI Key:
ZJOCDHLLTLVNKW-VOTSOKGWSA-N
SMILES:
OCC1(CO)COC(=N1)/C=C/c1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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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