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480438-72-0 | 2-Butoxy-5-methylphenylboronic acid
CAS No: 480438-72-0 Catalog No: AG003GTH MDL No:MFCD04974068
Product Description
Catalog Number:
AG003GTH
Chemical Name:
2-Butoxy-5-methylphenylboronic acid
CAS Number:
480438-72-0
Molecular Formula:
C11H17BO3
Molecular Weight:
208.0619
MDL Number:
MFCD04974068
IUPAC Name:
(2-butoxy-5-methylphenyl)boronic acid
InChI:
InChI=1S/C11H17BO3/c1-3-4-7-15-11-6-5-9(2)8-10(11)12(13)14/h5-6,8,13-14H,3-4,7H2,1-2H3
InChI Key:
MIFKETUXFNRADI-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1B(O)O)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.064g/mol
Monoisotopic Mass:
208.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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