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1078-60-0 | 5(4H)-Oxazolone, 2-(phenylmethyl)-
CAS No: 1078-60-0 Catalog No: AG00848A MDL No:
Product Description
Catalog Number:
AG00848A
Chemical Name:
5(4H)-Oxazolone, 2-(phenylmethyl)-
CAS Number:
1078-60-0
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
2-benzyl-4H-1,3-oxazol-5-one
InChI:
InChI=1S/C10H9NO2/c12-10-7-11-9(13-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
GYWWVYAVRAHEAK-UHFFFAOYSA-N
SMILES:
O=C1CN=C(O1)Cc1ccccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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