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Home > Boronic Acids > 259209-33-1
259209-33-1 | Boronic acid,[2-hydroxy-5-(1-methylethyl)phenyl]- (9CI)
CAS No: 259209-33-1 Catalog No: AG002R1M MDL No:MFCD18827138
Product Description
Catalog Number:
AG002R1M
Chemical Name:
Boronic acid,[2-hydroxy-5-(1-methylethyl)phenyl]- (9CI)
CAS Number:
259209-33-1
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD18827138
IUPAC Name:
(2-hydroxy-5-propan-2-ylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-6(2)7-3-4-9(11)8(5-7)10(12)13/h3-6,11-13H,1-2H3
InChI Key:
WCFJCIMGOCZBLG-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)B(O)O)O)C
Properties
Complexity:
161
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:
3
Isotope Atom Count:
0
Molecular Weight:
180.01g/mol
Monoisotopic Mass:
180.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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