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480438-71-9 | 2-ISOPROPOXY-5-METHYLPHENYLBORONIC ACID
CAS No: 480438-71-9 Catalog No: AG00D9R6 MDL No:MFCD04974067
Product Description
Catalog Number:
AG00D9R6
Chemical Name:
2-ISOPROPOXY-5-METHYLPHENYLBORONIC ACID
CAS Number:
480438-71-9
Molecular Formula:
C10H15BO3
Molecular Weight:
194.0353
MDL Number:
MFCD04974067
IUPAC Name:
(5-methyl-2-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C10H15BO3/c1-7(2)14-10-5-4-8(3)6-9(10)11(12)13/h4-7,12-13H,1-3H3
InChI Key:
PESPTYNENYUZTH-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1B(O)O)C)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:
194.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.037g/mol
Monoisotopic Mass:
194.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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