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823225-76-9 | 2H-1,5-Benzodioxepin-6-carboxylic acid, 8-(butylamino)-3,4-dihydro-
CAS No: 823225-76-9 Catalog No: AG004YWQ MDL No:
Product Description
Catalog Number:
AG004YWQ
Chemical Name:
2H-1,5-Benzodioxepin-6-carboxylic acid, 8-(butylamino)-3,4-dihydro-
CAS Number:
823225-76-9
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
IUPAC Name:
8-(butylamino)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
InChI:
InChI=1S/C14H19NO4/c1-2-3-5-15-10-8-11(14(16)17)13-12(9-10)18-6-4-7-19-13/h8-9,15H,2-7H2,1H3,(H,16,17)
InChI Key:
CEYXXYOYCOICAZ-UHFFFAOYSA-N
SMILES:
CCCCNc1cc2OCCCOc2c(c1)C(=O)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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