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Home > Boronic Acids > 956894-26-1
956894-26-1 | (2-Methyl-4-propoxyphenyl)boronic acid
CAS No: 956894-26-1 Catalog No: AG003LZY MDL No:MFCD06411291
Product Description
Catalog Number:
AG003LZY
Chemical Name:
(2-Methyl-4-propoxyphenyl)boronic acid
CAS Number:
956894-26-1
Molecular Formula:
C10H15BO3
Molecular Weight:
194.0353
MDL Number:
MFCD06411291
IUPAC Name:
(2-methyl-4-propoxyphenyl)boronic acid
InChI:
InChI=1S/C10H15BO3/c1-3-6-14-9-4-5-10(11(12)13)8(2)7-9/h4-5,7,12-13H,3,6H2,1-2H3
InChI Key:
MMQDERNOLILBBE-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1)C)B(O)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.037g/mol
Monoisotopic Mass:
194.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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