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480424-95-1 | 4-((4-Boronophenyl);amino);-4-oxobutanoic acid
CAS No: 480424-95-1 Catalog No: AG003SDD MDL No:
Product Description
Catalog Number:
AG003SDD
Chemical Name:
4-((4-Boronophenyl);amino);-4-oxobutanoic acid
CAS Number:
480424-95-1
Molecular Formula:
C10H12BNO5
Molecular Weight:
237.0170
IUPAC Name:
4-(4-boronoanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C10H12BNO5/c13-9(5-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-4,16-17H,5-6H2,(H,12,13)(H,14,15)
InChI Key:
VYUCUZOJUHAJLU-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)B(O)O)CCC(=O)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
237.018g/mol
Monoisotopic Mass:
237.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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