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Home > Boronic Acids > 379669-72-4
379669-72-4 | But-3-enylboronic acid
CAS No: 379669-72-4 Catalog No: AG003OL3 MDL No:MFCD09836235
Product Description
Catalog Number:
AG003OL3
Chemical Name:
But-3-enylboronic acid
CAS Number:
379669-72-4
Molecular Formula:
C4H9BO2
Molecular Weight:
99.9241
MDL Number:
MFCD09836235
IUPAC Name:
but-3-enylboronic acid
InChI:
InChI=1S/C4H9BO2/c1-2-3-4-5(6)7/h2,6-7H,1,3-4H2
InChI Key:
WHTULVNQGYJCSG-UHFFFAOYSA-N
SMILES:
C=CCCB(O)O
Properties
Complexity:
53.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.07g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
99.924g/mol
Monoisotopic Mass:
100.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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