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114570-55-7 | 1H-2-Benzazepine-1,5(2H)-dione, 4-butyl-3,4-dihydro-
CAS No: 114570-55-7 Catalog No: AG000EQN MDL No:
Product Description
Catalog Number:
AG000EQN
Chemical Name:
1H-2-Benzazepine-1,5(2H)-dione, 4-butyl-3,4-dihydro-
CAS Number:
114570-55-7
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
4-butyl-3,4-dihydro-2H-2-benzazepine-1,5-dione
InChI:
InChI=1S/C14H17NO2/c1-2-3-6-10-9-15-14(17)12-8-5-4-7-11(12)13(10)16/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,15,17)
InChI Key:
GLOTUSIFHVGVRU-UHFFFAOYSA-N
SMILES:
CCCCC1CNC(=O)c2c(C1=O)cccc2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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