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Home > Boronic Acids > 945723-15-9
945723-15-9 | [4-(1-methoxyethyl)phenyl]boronic acid
CAS No: 945723-15-9 Catalog No: AG00IICJ MDL No:MFCD09864274
Product Description
Catalog Number:
AG00IICJ
Chemical Name:
[4-(1-methoxyethyl)phenyl]boronic acid
CAS Number:
945723-15-9
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD09864274
IUPAC Name:
[4-(1-methoxyethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H13BO3/c1-7(13-2)8-3-5-9(6-4-8)10(11)12/h3-7,11-12H,1-2H3
InChI Key:
MXJVIYUOJJYGRL-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)B(O)O)C
Properties
Complexity:
144
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:
1
Undefined Bond Stereocenter Count:
0
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