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Home > Boronic Acids > 177971-27-6
177971-27-6 | Boronic acid, (4,5-dimethoxy-7-methyl-1-naphthalenyl)- (9CI)
CAS No: 177971-27-6 Catalog No: AG0025O5 MDL No:
Product Description
Catalog Number:
AG0025O5
Chemical Name:
Boronic acid, (4,5-dimethoxy-7-methyl-1-naphthalenyl)- (9CI)
CAS Number:
177971-27-6
Molecular Formula:
C13H15BO4
Molecular Weight:
246.0668
IUPAC Name:
(4,5-dimethoxy-7-methylnaphthalen-1-yl)boronic acid
InChI:
InChI=1S/C13H15BO4/c1-8-6-9-10(14(15)16)4-5-11(17-2)13(9)12(7-8)18-3/h4-7,15-16H,1-3H3
InChI Key:
BDRLHLSAUDPNLJ-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1c(OC)cc(c2)C)B(O)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.069g/mol
Monoisotopic Mass:
246.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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