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Home > Other Heterocycles > 1258430-91-9
1258430-91-9 | Spiro[4H-azepine-4,2'(3'H)-benzofuran], 1,2,3,5,6,7-hexahydro-
CAS No: 1258430-91-9 Catalog No: AG000OTG MDL No:
Product Description
Catalog Number:
AG000OTG
Chemical Name:
Spiro[4H-azepine-4,2'(3'H)-benzofuran], 1,2,3,5,6,7-hexahydro-
CAS Number:
1258430-91-9
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
spiro[1H-2-benzofuran-3,4'-azepane]
InChI:
InChI=1S/C13H17NO/c1-2-5-12-11(4-1)10-15-13(12)6-3-8-14-9-7-13/h1-2,4-5,14H,3,6-10H2
InChI Key:
DAFFTQRPZBSBKG-UHFFFAOYSA-N
SMILES:
C1NCCC2(CC1)Cc1c(O2)cccc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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