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Home > Boronic Acids > 352525-96-3
352525-96-3 | TRANS-2-(4-ETHYLPHENYL)VINYLBORONIC ACID
CAS No: 352525-96-3 Catalog No: AG007ECZ MDL No:
Product Description
Catalog Number:
AG007ECZ
Chemical Name:
TRANS-2-(4-ETHYLPHENYL)VINYLBORONIC ACID
CAS Number:
352525-96-3
Molecular Formula:
C10H13BO2
Molecular Weight:
176.0200
IUPAC Name:
2-(4-ethylphenyl)ethenylboronic acid
InChI:
InChI=1S/C10H13BO2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-8,12-13H,2H2,1H3
InChI Key:
KCHGJIPWUYHLAD-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)/C=C/B(O)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.022g/mol
Monoisotopic Mass:
176.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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