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88909-10-8 | 1,5-Diazocin-2(1H)-one, hexahydro-4-phenyl-
CAS No: 88909-10-8 Catalog No: AG0048W6 MDL No:
Product Description
Catalog Number:
AG0048W6
Chemical Name:
1,5-Diazocin-2(1H)-one, hexahydro-4-phenyl-
CAS Number:
88909-10-8
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
IUPAC Name:
4-phenyl-1,5-diazocan-2-one
InChI:
InChI=1S/C12H16N2O/c15-12-9-11(13-7-4-8-14-12)10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)
InChI Key:
UDLGYTVXMFXWQP-UHFFFAOYSA-N
SMILES:
O=C1NCCCNC(C1)c1ccccc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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