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Home > Boronic Acids > 81793-06-8
81793-06-8 | 10-Undecenoic acid, 11-borono-, 1-methyl ester, (E)-
CAS No: 81793-06-8 Catalog No: AG005HUN MDL No:
Product Description
Catalog Number:
AG005HUN
Chemical Name:
10-Undecenoic acid, 11-borono-, 1-methyl ester, (E)-
CAS Number:
81793-06-8
Molecular Formula:
C12H23BO4
Molecular Weight:
242.1196
IUPAC Name:
(11-methoxy-11-oxoundec-1-enyl)boronic acid
InChI:
InChI=1S/C12H23BO4/c1-17-12(14)10-8-6-4-2-3-5-7-9-11-13(15)16/h9,11,15-16H,2-8,10H2,1H3
InChI Key:
NITUQFWBYIGNRU-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCC/C=C/B(O)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.169g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.122g/mol
Monoisotopic Mass:
242.169g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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