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Home > Boronic Acids > 1189127-05-6
1189127-05-6 | B-(3-Ethynylphenyl)boronic acid
CAS No: 1189127-05-6 Catalog No: AG003A1H MDL No:MFCD17677372
Product Description
Catalog Number:
AG003A1H
Chemical Name:
B-(3-Ethynylphenyl)boronic acid
CAS Number:
1189127-05-6
Molecular Formula:
C8H7BO2
Molecular Weight:
145.9510
MDL Number:
MFCD17677372
IUPAC Name:
(3-ethynylphenyl)boronic acid
InChI:
InChI=1S/C8H7BO2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6,10-11H
InChI Key:
RYWSMYJBXIZVRL-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)B(O)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.054g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.952g/mol
Monoisotopic Mass:
146.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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