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51110-93-1 | 3,4-Dihydro-2H-1,6-benzoxazocin-5(6H)-one
CAS No: 51110-93-1 Catalog No: AG00DUHE MDL No:
Product Description
Catalog Number:
AG00DUHE
Chemical Name:
3,4-Dihydro-2H-1,6-benzoxazocin-5(6H)-one
CAS Number:
51110-93-1
IUPAC Name:
2,3,4,6-tetrahydro-1,6-benzoxazocin-5-one
InChI:
InChI=1S/C10H11NO2/c12-10-6-3-7-13-9-5-2-1-4-8(9)11-10/h1-2,4-5H,3,6-7H2,(H,11,12)
InChI Key:
XFIMYRDMLWOVGV-UHFFFAOYSA-N
Properties
Complexity:
193
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:
2
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:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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