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Home > Boronic Acids > 1256358-77-6

1256358-77-6

1256358-77-6 | 2-(Tetrahydropyran-4-yloxymethy)phenylboronic acid

CAS No: 1256358-77-6 Catalog No: AG00HICU MDL No:MFCD16198631

Product Description

Catalog Number:
AG00HICU
Chemical Name:
2-(Tetrahydropyran-4-yloxymethy)phenylboronic acid
CAS Number:
1256358-77-6
Molecular Formula:
C12H17BO4
Molecular Weight:
236.0720
MDL Number:
MFCD16198631
IUPAC Name:
[2-(oxan-4-yloxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C12H17BO4/c14-13(15)12-4-2-1-3-10(12)9-17-11-5-7-16-8-6-11/h1-4,11,14-15H,5-9H2
InChI Key:
CLQFACNULRLNIC-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1COC1CCOCC1)O

Properties

Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.122g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
236.074g/mol
Monoisotopic Mass:
236.122g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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