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Home > Boronic Acids > 78461-60-6
78461-60-6 | Boronic acid, 1-hexenyl-
CAS No: 78461-60-6 Catalog No: AG005A3N MDL No:
Product Description
Catalog Number:
AG005A3N
Chemical Name:
Boronic acid, 1-hexenyl-
CAS Number:
78461-60-6
Molecular Formula:
C6H13BO2
Molecular Weight:
127.9772
IUPAC Name:
hex-1-enylboronic acid
InChI:
InChI=1S/C6H13BO2/c1-2-3-4-5-6-7(8)9/h5-6,8-9H,2-4H2,1H3
InChI Key:
GWFKSQSXNUNYAC-UHFFFAOYSA-N
SMILES:
CCCCC=CB(O)O
Properties
Complexity:
81.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.101g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
127.978g/mol
Monoisotopic Mass:
128.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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