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332095-91-7 | 5(4H)-Oxazolone, 4-(hydroxymethylene)-2-(phenylmethyl)-
CAS No: 332095-91-7 Catalog No: AG007GR5 MDL No:
Product Description
Catalog Number:
AG007GR5
Chemical Name:
5(4H)-Oxazolone, 4-(hydroxymethylene)-2-(phenylmethyl)-
CAS Number:
332095-91-7
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
IUPAC Name:
2-benzyl-5-hydroxy-1,3-oxazole-4-carbaldehyde
InChI:
InChI=1S/C11H9NO3/c13-7-9-11(14)15-10(12-9)6-8-4-2-1-3-5-8/h1-5,7,14H,6H2
InChI Key:
AWFIVARAENOBMT-UHFFFAOYSA-N
SMILES:
OC=C1N=C(OC1=O)Cc1ccccc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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