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Home > Boronic Acids > 87640-09-3
87640-09-3 | 17-Octadecenoic acid, 18-borono-, methyl ester, (E)-
CAS No: 87640-09-3 Catalog No: AG004ON4 MDL No:
Product Description
Catalog Number:
AG004ON4
Chemical Name:
17-Octadecenoic acid, 18-borono-, methyl ester, (E)-
CAS Number:
87640-09-3
Molecular Formula:
C19H37BO4
Molecular Weight:
340.3057
IUPAC Name:
(18-methoxy-18-oxooctadec-1-enyl)boronic acid
InChI:
InChI=1S/C19H37BO4/c1-24-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h16,18,22-23H,2-15,17H2,1H3
InChI Key:
WWMFNFCCOFSQHB-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCCCCCC/C=C/B(O)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.278g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.311g/mol
Monoisotopic Mass:
340.278g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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