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13805-28-2 | Decanoic acid, 2-bromo-, 2-propyn-1-yl ester
CAS No: 13805-28-2 Catalog No: AG0017WS MDL No:
Product Description
Catalog Number:
AG0017WS
Chemical Name:
Decanoic acid, 2-bromo-, 2-propyn-1-yl ester
CAS Number:
13805-28-2
Molecular Formula:
C13H21BrO2
Molecular Weight:
289.2086
IUPAC Name:
prop-2-ynyl 2-bromodecanoate
InChI:
InChI=1S/C13H21BrO2/c1-3-5-6-7-8-9-10-12(14)13(15)16-11-4-2/h2,12H,3,5-11H2,1H3
InChI Key:
ZPAOYBYFRSGDON-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(=O)OCC#C)Br
NSC Number:
74373
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.213g/mol
Monoisotopic Mass:
288.072g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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