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Home > Boronic Acids > 1122568-03-9
1122568-03-9 | 2-(2-Methoxyethyl)phenylboronic acid
CAS No: 1122568-03-9 Catalog No: AG0096IH MDL No:
Product Description
Catalog Number:
AG0096IH
Chemical Name:
2-(2-Methoxyethyl)phenylboronic acid
CAS Number:
1122568-03-9
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
IUPAC Name:
[2-(2-methoxyethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H13BO3/c1-13-7-6-8-4-2-3-5-9(8)10(11)12/h2-5,11-12H,6-7H2,1H3
InChI Key:
ZTEYMAAFQHBRPI-UHFFFAOYSA-N
SMILES:
COCCc1ccccc1B(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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