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17604-92-1 | 2,1-Benzoxaborepin-4-carboxylic acid, 4-amino-1,3,4,5-tetrahydro-1-hydroxy-3-oxo-
CAS No: 17604-92-1 Catalog No: AG0021EL MDL No:
Product Description
Catalog Number:
AG0021EL
Chemical Name:
2,1-Benzoxaborepin-4-carboxylic acid, 4-amino-1,3,4,5-tetrahydro-1-hydroxy-3-oxo-
CAS Number:
17604-92-1
Molecular Formula:
C10H10BNO5
Molecular Weight:
235.0011
IUPAC Name:
4-amino-1-hydroxy-3-oxo-5H-2,1-benzoxaborepine-4-carboxylic acid
InChI:
InChI=1S/C10H10BNO5/c12-10(8(13)14)5-6-3-1-2-4-7(6)11(16)17-9(10)15/h1-4,16H,5,12H2,(H,13,14)
InChI Key:
OFWYJAXKNCYRDY-UHFFFAOYSA-N
SMILES:
OC(=O)C1(N)Cc2ccccc2B(OC1=O)O
NSC Number:
157834
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
235.002g/mol
Monoisotopic Mass:
235.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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