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81094-63-5 | 1,4,5,6-TETRAHYDRO-1,5-METHANO-3H-2,4-BENZOXAZOCIN-3-ONE
CAS No: 81094-63-5 Catalog No: AG005GH2 MDL No:
Product Description
Catalog Number:
AG005GH2
Chemical Name:
1,4,5,6-TETRAHYDRO-1,5-METHANO-3H-2,4-BENZOXAZOCIN-3-ONE
CAS Number:
81094-63-5
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
12-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
InChI:
InChI=1S/C11H11NO2/c13-11-12-8-5-7-3-1-2-4-9(7)10(6-8)14-11/h1-4,8,10H,5-6H2,(H,12,13)
InChI Key:
OCVKLYHEWYVKBU-UHFFFAOYSA-N
SMILES:
O=C1NC2CC(O1)c1c(C2)cccc1
NSC Number:
374204
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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