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Home > Boronic Acids > 905926-85-4
905926-85-4 | (2-ETHYNYLPHENYL)BORONIC ACID
CAS No: 905926-85-4 Catalog No: AG00GXHI MDL No:MFCD10697431
Product Description
Catalog Number:
AG00GXHI
Chemical Name:
(2-ETHYNYLPHENYL)BORONIC ACID
CAS Number:
905926-85-4
Molecular Formula:
C8H7BO2
Molecular Weight:
145.9510
MDL Number:
MFCD10697431
IUPAC Name:
(2-ethynylphenyl)boronic acid
InChI:
InChI=1S/C8H7BO2/c1-2-7-5-3-4-6-8(7)9(10)11/h1,3-6,10-11H
InChI Key:
SRDKWIRBSWWARM-UHFFFAOYSA-N
SMILES:
C#Cc1ccccc1B(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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