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Home > Boronic Acids > 849611-34-3
849611-34-3 | Boronic acid, [3-[1-oxo-4-(1-pyrenyl)butyl]phenyl]-
CAS No: 849611-34-3 Catalog No: AG004UTS MDL No:
Product Description
Catalog Number:
AG004UTS
Chemical Name:
Boronic acid, [3-[1-oxo-4-(1-pyrenyl)butyl]phenyl]-
CAS Number:
849611-34-3
Molecular Formula:
C26H21BO3
Molecular Weight:
392.2541
IUPAC Name:
[3-(4-pyren-1-ylbutanoyl)phenyl]boronic acid
InChI:
InChI=1S/C26H21BO3/c28-24(21-7-2-8-22(16-21)27(29)30)9-3-4-17-10-11-20-13-12-18-5-1-6-19-14-15-23(17)26(20)25(18)19/h1-2,5-8,10-16,29-30H,3-4,9H2
InChI Key:
VMCLXUHEQAADSS-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)C(=O)CCCc1ccc2c3c1ccc1c3c(cc2)ccc1)O
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.158g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.261g/mol
Monoisotopic Mass:
392.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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