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188726-68-3 | 3H-[1]Benzopyrano[4,3-c]isoxazole, 1,3a,4,9b-tetrahydro-3,3-dimethyl-
CAS No: 188726-68-3 Catalog No: AG002H7Y MDL No:
Product Description
Catalog Number:
AG002H7Y
Chemical Name:
3H-[1]Benzopyrano[4,3-c]isoxazole, 1,3a,4,9b-tetrahydro-3,3-dimethyl-
CAS Number:
188726-68-3
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
3,3-dimethyl-1,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
InChI:
InChI=1S/C12H15NO2/c1-12(2)9-7-14-10-6-4-3-5-8(10)11(9)13-15-12/h3-6,9,11,13H,7H2,1-2H3
InChI Key:
CWXKZJGQPMLLTO-UHFFFAOYSA-N
SMILES:
CC1(C)ONC2C1COc1c2cccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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