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Home > Boronic Acids > 1257651-53-8
1257651-53-8 | 3-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzoic acid
CAS No: 1257651-53-8 Catalog No: AG009IYP MDL No:MFCD11215221
Product Description
Catalog Number:
AG009IYP
Chemical Name:
3-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzoic acid
CAS Number:
1257651-53-8
Molecular Formula:
C12H12BNO6
Molecular Weight:
277.0378
MDL Number:
MFCD11215221
IUPAC Name:
3-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzoic acid
InChI:
InChI=1S/C12H12BNO6/c1-14-6-10(15)19-13(20-11(16)7-14)9-4-2-3-8(5-9)12(17)18/h2-5H,6-7H2,1H3,(H,17,18)
InChI Key:
JRCDMNVJJJCDBU-UHFFFAOYSA-N
SMILES:
CN1CC(=O)OB(OC(=O)C1)c1cccc(c1)C(=O)O
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.076g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.039g/mol
Monoisotopic Mass:
277.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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