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Home > Boronic Acids > 269409-74-7
269409-74-7 | 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
CAS No: 269409-74-7 Catalog No: AG00BF6W MDL No:MFCD08061640
Product Description
Catalog Number:
AG00BF6W
Chemical Name:
3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
CAS Number:
269409-74-7
Molecular Formula:
C14H19BO4
Molecular Weight:
262.1093
MDL Number:
MFCD08061640
IUPAC Name:
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C14H19BO4/c1-9-8-10(12(16)17)6-7-11(9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
InChI Key:
YEGJMUXHTVEBND-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1B1OC(C(O1)(C)C)(C)C)C(=O)O
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.138g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.112g/mol
Monoisotopic Mass:
262.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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