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20877-86-5 | 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-phenyl-
CAS No: 20877-86-5 Catalog No: AG002JW1 MDL No:MFCD08059220
Product Description
Catalog Number:
AG002JW1
Chemical Name:
2H-3,1-Benzoxazine-2,4(1H)-dione, 1-phenyl-
CAS Number:
20877-86-5
Molecular Formula:
C14H9NO3
Molecular Weight:
239.2262
MDL Number:
MFCD08059220
IUPAC Name:
1-phenyl-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C14H9NO3/c16-13-11-8-4-5-9-12(11)15(14(17)18-13)10-6-2-1-3-7-10/h1-9H
InChI Key:
JXLXUQZYJCFIGY-UHFFFAOYSA-N
SMILES:
O=c1oc(=O)c2c(n1c1ccccc1)cccc2
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.23g/mol
Monoisotopic Mass:
239.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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