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Home > Boronic Acids > 881302-73-4
881302-73-4 | 5-Boronoisophthalic acid
CAS No: 881302-73-4 Catalog No: AG008C7F MDL No:MFCD06203347
Product Description
Catalog Number:
AG008C7F
Chemical Name:
5-Boronoisophthalic acid
CAS Number:
881302-73-4
Molecular Formula:
C8H7BO6
Molecular Weight:
209.9486
MDL Number:
MFCD06203347
IUPAC Name:
5-boronobenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H7BO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,14-15H,(H,10,11)(H,12,13)
InChI Key:
LCDXMCXNZRXUDH-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)C(=O)O)C(=O)O)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.034g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
209.948g/mol
Monoisotopic Mass:
210.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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