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Home > Boronic Acids > 105869-40-7
105869-40-7 | Boronic acid, [2-(4-methoxyphenyl)ethyl]-
CAS No: 105869-40-7 Catalog No: AG007WL7 MDL No:
Product Description
Catalog Number:
AG007WL7
Chemical Name:
Boronic acid, [2-(4-methoxyphenyl)ethyl]-
CAS Number:
105869-40-7
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
IUPAC Name:
2-(4-methoxyphenyl)ethylboronic acid
InChI:
InChI=1S/C9H13BO3/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-5,11-12H,6-7H2,1H3
InChI Key:
RWPNEJOLOHADOQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CCB(O)O
Properties
Complexity:
133
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:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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