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7547-97-9

7547-97-9 | trans-1-Propen-1-yl-boronic acid

CAS No: 7547-97-9 Catalog No: AG0032DC MDL No:MFCD02179501

Product Description

Catalog Number:
AG0032DC
Chemical Name:
trans-1-Propen-1-yl-boronic acid
CAS Number:
7547-97-9
Molecular Formula:
C3H7BO2
Molecular Weight:
85.8975
MDL Number:
MFCD02179501
IUPAC Name:
[(E)-prop-1-enyl]boronic acid
InChI:
InChI=1S/C3H7BO2/c1-2-3-4(5)6/h2-3,5-6H,1H3/b3-2+
InChI Key:
CBMCZKMIOZYAHS-NSCUHMNNSA-N
SMILES:
OB(/C=C/C)O

Properties

Complexity:
50.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
86.054g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
85.897g/mol
Monoisotopic Mass:
86.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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