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Home > Boronic Acids > 1072951-68-8
1072951-68-8 | (3,5-Diformyl-2-isopropoxyphenyl);boronic acid
CAS No: 1072951-68-8 Catalog No: AG003BQL MDL No:MFCD09750451
Product Description
Catalog Number:
AG003BQL
Chemical Name:
(3,5-Diformyl-2-isopropoxyphenyl);boronic acid
CAS Number:
1072951-68-8
Molecular Formula:
C11H13BO5
Molecular Weight:
236.0289
MDL Number:
MFCD09750451
IUPAC Name:
(3,5-diformyl-2-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C11H13BO5/c1-7(2)17-11-9(6-14)3-8(5-13)4-10(11)12(15)16/h3-7,15-16H,1-2H3
InChI Key:
MZTOPIAFLPHQPO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C=O)c(c(c1)B(O)O)OC(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.086g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.03g/mol
Monoisotopic Mass:
236.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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