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Home > Other Heterocycles > 206552-58-1
206552-58-1 | 2,2'-Spirobi[2H-3,1-benzoxazine]-4,4'(1H,1'H)-dione, 1,1'-dimethyl-
CAS No: 206552-58-1 Catalog No: AG002IJM MDL No:
Product Description
Catalog Number:
AG002IJM
Chemical Name:
2,2'-Spirobi[2H-3,1-benzoxazine]-4,4'(1H,1'H)-dione, 1,1'-dimethyl-
CAS Number:
206552-58-1
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
1,1'-dimethyl-2,2'-spirobi[3,1-benzoxazine]-4,4'-dione
InChI:
InChI=1S/C17H14N2O4/c1-18-13-9-5-3-7-11(13)15(20)22-17(18)19(2)14-10-6-4-8-12(14)16(21)23-17/h3-10H,1-2H3
InChI Key:
DNRIIYYJAZWLQL-UHFFFAOYSA-N
SMILES:
CN1c2ccccc2C(=O)OC21OC(=O)c1c(N2C)cccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.309g/mol
Monoisotopic Mass:
310.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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