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Home > Boronic Acids > 105869-42-9
105869-42-9 | Boronic acid, [2-(3-methoxyphenyl)ethyl]-
CAS No: 105869-42-9 Catalog No: AG0084YY MDL No:
Product Description
Catalog Number:
AG0084YY
Chemical Name:
Boronic acid, [2-(3-methoxyphenyl)ethyl]-
CAS Number:
105869-42-9
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
IUPAC Name:
2-(3-methoxyphenyl)ethylboronic acid
InChI:
InChI=1S/C9H13BO3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7,11-12H,5-6H2,1H3
InChI Key:
SCTAGQZQNPVBJV-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CCB(O)O
Properties
Complexity:
141
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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