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141493-50-7 | Pyrrolo[2,1-b][1,3]oxazepin-7(8H)-one, hexahydro-9a-methyl-
CAS No: 141493-50-7 Catalog No: AG001GGG MDL No:
Product Description
Catalog Number:
AG001GGG
Chemical Name:
Pyrrolo[2,1-b][1,3]oxazepin-7(8H)-one, hexahydro-9a-methyl-
CAS Number:
141493-50-7
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
9a-methyl-2,3,4,5,8,9-hexahydropyrrolo[2,1-b][1,3]oxazepin-7-one
InChI:
InChI=1S/C9H15NO2/c1-9-5-4-8(11)10(9)6-2-3-7-12-9/h2-7H2,1H3
InChI Key:
RPGJPDUCPWYICC-UHFFFAOYSA-N
SMILES:
O=C1CCC2(N1CCCCO2)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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