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189640-61-7 | 1,2,4-Oxadiazolidine-3,5-dione, 2-(phenylmethyl)-
CAS No: 189640-61-7 Catalog No: AG002DUM MDL No:MFCD20729717
Product Description
Catalog Number:
AG002DUM
Chemical Name:
1,2,4-Oxadiazolidine-3,5-dione, 2-(phenylmethyl)-
CAS Number:
189640-61-7
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD20729717
IUPAC Name:
2-benzyl-1,2,4-oxadiazolidine-3,5-dione
InChI:
InChI=1S/C9H8N2O3/c12-8-10-9(13)14-11(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12,13)
InChI Key:
BKNQIORDYCCANN-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)on1Cc1ccccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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