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13090-25-0 | 6H-1,3-Dioxolo[4,5-g][1,4]benzoxazine (8CI,9CI)
CAS No: 13090-25-0 Catalog No: AG000V31 MDL No:
Product Description
Catalog Number:
AG000V31
Chemical Name:
6H-1,3-Dioxolo[4,5-g][1,4]benzoxazine (8CI,9CI)
CAS Number:
13090-25-0
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
IUPAC Name:
6H-[1,3]dioxolo[4,5-g][1,4]benzoxazine
InChI:
InChI=1S/C9H7NO3/c1-2-11-7-4-9-8(12-5-13-9)3-6(7)10-1/h1,3-4H,2,5H2
InChI Key:
VLKMMHUFTUUZPD-UHFFFAOYSA-N
SMILES:
C1C=Nc2c(O1)cc1c(c2)OCO1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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