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Home > Boronic Acids > 1451391-68-6
1451391-68-6 | (3-ethoxy-4-Methylphenyl)boronic acid
CAS No: 1451391-68-6 Catalog No: AG00ARAR MDL No:MFCD18447586
Product Description
Catalog Number:
AG00ARAR
Chemical Name:
(3-ethoxy-4-Methylphenyl)boronic acid
CAS Number:
1451391-68-6
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD18447586
IUPAC Name:
(3-ethoxy-4-methylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-3-13-9-6-8(10(11)12)5-4-7(9)2/h4-6,11-12H,3H2,1-2H3
InChI Key:
VEPYEHDOMJWEHO-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1C)B(O)O
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.096g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.01g/mol
Monoisotopic Mass:
180.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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