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120779-81-9 | 3H-[1]Benzopyrano[4,3-c]isoxazole, 1,3a,4,9b-tetrahydro-
CAS No: 120779-81-9 Catalog No: AG007PLK MDL No:
Product Description
Catalog Number:
AG007PLK
Chemical Name:
3H-[1]Benzopyrano[4,3-c]isoxazole, 1,3a,4,9b-tetrahydro-
CAS Number:
120779-81-9
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
3,3a,4,9b-tetrahydro-1H-chromeno[4,3-c][1,2]oxazole
InChI:
InChI=1S/C10H11NO2/c1-2-4-9-8(3-1)10-7(5-12-9)6-13-11-10/h1-4,7,10-11H,5-6H2
InChI Key:
ZXMFDPAQTCFAEQ-UHFFFAOYSA-N
SMILES:
O1CC2C(N1)c1ccccc1OC2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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