Home Carboxys 2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-7-carboxylic acid

2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-7-carboxylic acid

CAS No.:
117030-69-0
Catalog Number:
AG0091MH
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
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Product Description
Catalog Number:
AG0091MH
Chemical Name:
2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-7-carboxylic acid
CAS Number:
117030-69-0
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD10006181
IUPAC Name:
2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxylic acid
InChI:
InChI=1S/C11H11NO3/c13-10-3-1-2-7-6-8(11(14)15)4-5-9(7)12-10/h4-6H,1-3H2,(H,12,13)(H,14,15)
InChI Key:
WVABYIKIASMFFY-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c(N1)ccc(c2)C(=O)O
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties