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Home > Boronic Acids > 957121-03-8
957121-03-8 | (2,5-Bis(methoxymethyl)-1,4-phenylene)diboronic acid
CAS No: 957121-03-8 Catalog No: AG003FW5 MDL No:MFCD09800887
Product Description
Catalog Number:
AG003FW5
Chemical Name:
(2,5-Bis(methoxymethyl)-1,4-phenylene)diboronic acid
CAS Number:
957121-03-8
Molecular Formula:
C10H16B2O6
Molecular Weight:
253.8524
MDL Number:
MFCD09800887
IUPAC Name:
[4-borono-2,5-bis(methoxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C10H16B2O6/c1-17-5-7-3-10(12(15)16)8(6-18-2)4-9(7)11(13)14/h3-4,13-16H,5-6H2,1-2H3
InChI Key:
NFMLXZAULPLVSK-UHFFFAOYSA-N
SMILES:
COCc1cc(B(O)O)c(cc1B(O)O)COC
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.113g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
253.852g/mol
Monoisotopic Mass:
254.113g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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