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81282-08-8 | 5H-[2]Benzopyrano[3,4-c]isoxazol-5-one, 1-methyl-
CAS No: 81282-08-8 Catalog No: AG008MPD MDL No:
Product Description
Catalog Number:
AG008MPD
Chemical Name:
5H-[2]Benzopyrano[3,4-c]isoxazol-5-one, 1-methyl-
CAS Number:
81282-08-8
Molecular Formula:
C11H7NO3
Molecular Weight:
201.1782
IUPAC Name:
1-methylisochromeno[3,4-c][1,2]oxazol-5-one
InChI:
InChI=1S/C11H7NO3/c1-6-9-7-4-2-3-5-8(7)11(13)14-10(9)12-15-6/h2-5H,1H3
InChI Key:
PHHCYOSFYCLFNB-UHFFFAOYSA-N
SMILES:
O=c1oc2noc(c2c2c1cccc2)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.181g/mol
Monoisotopic Mass:
201.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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