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Home > Boronic Acids > 352534-81-7
352534-81-7 | 3-BUTOXYBENZENEBORONIC ACID
CAS No: 352534-81-7 Catalog No: AG00C09O MDL No:MFCD03427053
Product Description
Catalog Number:
AG00C09O
Chemical Name:
3-BUTOXYBENZENEBORONIC ACID
CAS Number:
352534-81-7
Molecular Formula:
C10H15BO3
Molecular Weight:
194.0353
MDL Number:
MFCD03427053
IUPAC Name:
(3-butoxyphenyl)boronic acid
InChI:
InChI=1S/C10H15BO3/c1-2-3-7-14-10-6-4-5-9(8-10)11(12)13/h4-6,8,12-13H,2-3,7H2,1H3
InChI Key:
ZTRKYYYDXARQRD-UHFFFAOYSA-N
SMILES:
CCCCOc1cccc(c1)B(O)O
Properties
Complexity:
152
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:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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