200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1004294-79-4
1004294-79-4 | Benzoic acid, 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1004294-79-4 Catalog No: AG0001YL MDL No:MFCD12546597
Product Description
Catalog Number:
AG0001YL
Chemical Name:
Benzoic acid, 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1004294-79-4
Molecular Formula:
C14H19BO5
Molecular Weight:
278.1087
MDL Number:
MFCD12546597
IUPAC Name:
methyl 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H19BO5/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10/h6-8,16H,1-5H3
InChI Key:
CXTSTJMTRHANCB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)O)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.111g/mol
Monoisotopic Mass:
278.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.