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Home > Boronic Acids > 1236189-95-9
1236189-95-9 | [3-(3-methylbutoxy)phenyl]boronic acid
CAS No: 1236189-95-9 Catalog No: AG01AH5R MDL No:MFCD11183190
Product Description
Catalog Number:
AG01AH5R
Chemical Name:
[3-(3-methylbutoxy)phenyl]boronic acid
CAS Number:
1236189-95-9
Molecular Formula:
C11H17BO3
Molecular Weight:
208.0619
MDL Number:
MFCD11183190
IUPAC Name:
[3-(3-methylbutoxy)phenyl]boronic acid
InChI:
InChI=1S/C11H17BO3/c1-9(2)6-7-15-11-5-3-4-10(8-11)12(13)14/h3-5,8-9,13-14H,6-7H2,1-2H3
InChI Key:
AIFBGNPSZLRGLB-UHFFFAOYSA-N
SMILES:
CC(CCOc1cccc(c1)B(O)O)C
Properties
Complexity:
173
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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