Home Carboxys 5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxylic acid

5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxylic acid

CAS No.:
933695-34-2
Catalog Number:
AG01C7DN
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
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Product Description
Catalog Number:
AG01C7DN
Chemical Name:
5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxylic acid
CAS Number:
933695-34-2
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
MDL Number:
MFCD20040075
IUPAC Name:
5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxylic acid
InChI:
InChI=1S/C10H9NO4/c12-9-7-5-6(10(13)14)1-2-8(7)15-4-3-11-9/h1-2,5H,3-4H2,(H,11,12)(H,13,14)
InChI Key:
KIBLOSLXFCJRHQ-UHFFFAOYSA-N
SMILES:
O=C1NCCOc2c1cc(cc2)C(=O)O
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties