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269409-71-4 | Benzoic acid,4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 269409-71-4 Catalog No: AG00I53S MDL No:MFCD22414462
Product Description
Catalog Number:
AG00I53S
Chemical Name:
Benzoic acid,4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
269409-71-4
Molecular Formula:
C14H19BO5
Molecular Weight:
278.1087
MDL Number:
MFCD22414462
IUPAC Name:
4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C14H19BO5/c1-13(2)14(3,4)20-15(19-13)10-8-9(12(16)17)6-7-11(10)18-5/h6-8H,1-5H3,(H,16,17)
InChI Key:
SXVPRMHKACTQMU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B1OC(C(O1)(C)C)(C)C)C(=O)O
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
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