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28741-08-4 | Octylboronic acid
CAS No: 28741-08-4 Catalog No: AG003B1Y MDL No:MFCD01074560
Product Description
Catalog Number:
AG003B1Y
Chemical Name:
Octylboronic acid
CAS Number:
28741-08-4
Molecular Formula:
C8H19BO2
Molecular Weight:
158.0463
MDL Number:
MFCD01074560
IUPAC Name:
octylboronic acid
InChI:
InChI=1S/C8H19BO2/c1-2-3-4-5-6-7-8-9(10)11/h10-11H,2-8H2,1H3
InChI Key:
GKFRVXOKPXCXAK-UHFFFAOYSA-N
SMILES:
CCCCCCCCB(O)O
Properties
Complexity:
76.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.148g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.048g/mol
Monoisotopic Mass:
158.148g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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