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Home > Boronic Acids > 1072946-60-1
1072946-60-1 | 5-(5-Borono-1H-indol-1-yl)pentanoic acid
CAS No: 1072946-60-1 Catalog No: AG003M6F MDL No:MFCD11053846
Product Description
Catalog Number:
AG003M6F
Chemical Name:
5-(5-Borono-1H-indol-1-yl)pentanoic acid
CAS Number:
1072946-60-1
Molecular Formula:
C13H16BNO4
Molecular Weight:
261.0814
MDL Number:
MFCD11053846
IUPAC Name:
5-(5-boronoindol-1-yl)pentanoic acid
InChI:
InChI=1S/C13H16BNO4/c16-13(17)3-1-2-7-15-8-6-10-9-11(14(18)19)4-5-12(10)15/h4-6,8-9,18-19H,1-3,7H2,(H,16,17)
InChI Key:
WAVUJDADJNKCDA-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCn1ccc2c1ccc(c2)B(O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
261.084g/mol
Monoisotopic Mass:
261.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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