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Home > Boronic Acids > 1150114-57-0
1150114-57-0 | Boronic acid, B-[6-hydroxy-5-(tetrahydro-2H-pyran-2-yl)-2-naphthalenyl]-
CAS No: 1150114-57-0 Catalog No: AG000FMK MDL No:MFCD11855850
Product Description
Catalog Number:
AG000FMK
Chemical Name:
Boronic acid, B-[6-hydroxy-5-(tetrahydro-2H-pyran-2-yl)-2-naphthalenyl]-
CAS Number:
1150114-57-0
Molecular Formula:
C15H17BO4
Molecular Weight:
272.1041
MDL Number:
MFCD11855850
IUPAC Name:
[6-hydroxy-5-(oxan-2-yl)naphthalen-2-yl]boronic acid
InChI:
InChI=1S/C15H17BO4/c17-13-7-4-10-9-11(16(18)19)5-6-12(10)15(13)14-3-1-2-8-20-14/h4-7,9,14,17-19H,1-3,8H2
InChI Key:
KQWMQSDRQNNXEN-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1C1CCCCO1)ccc(c2)B(O)O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.107g/mol
Monoisotopic Mass:
272.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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