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113450-09-2 | 4,5-Oxazolidinedione, 2-(phenylmethylene)-, (Z)- (9CI)
CAS No: 113450-09-2 Catalog No: AG0008MO MDL No:
Product Description
Catalog Number:
AG0008MO
Chemical Name:
4,5-Oxazolidinedione, 2-(phenylmethylene)-, (Z)- (9CI)
CAS Number:
113450-09-2
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
IUPAC Name:
2-benzylidene-1,3-oxazolidine-4,5-dione
InChI:
InChI=1S/C10H7NO3/c12-9-10(13)14-8(11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)
InChI Key:
XOBNTJDSZFNXMG-UHFFFAOYSA-N
SMILES:
O=C1O/C(=C\c2ccccc2)/NC1=O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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