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Home > Boronic Acids > 957111-27-2
957111-27-2 | [4-(3-borono-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]boronic acid
CAS No: 957111-27-2 Catalog No: AG00IJDW MDL No:MFCD09258753
Product Description
Catalog Number:
AG00IJDW
Chemical Name:
[4-(3-borono-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]boronic acid
CAS Number:
957111-27-2
Molecular Formula:
C20H16B2O6
Molecular Weight:
373.9594
MDL Number:
MFCD09258753
IUPAC Name:
[4-(3-borono-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]boronic acid
InChI:
InChI=1S/C20H16B2O6/c23-19-15(21(25)26)9-11-5-1-3-7-13(11)17(19)18-14-8-4-2-6-12(14)10-16(20(18)24)22(27)28/h1-10,23-28H
InChI Key:
JQGYHOADNLSJJI-UHFFFAOYSA-N
SMILES:
OB(c1cc2ccccc2c(c1O)c1c(O)c(cc2c1cccc2)B(O)O)O
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.113g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
373.962g/mol
Monoisotopic Mass:
374.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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